@prefix : . @prefix cif_: . @prefix core: . @prefix owl: . @prefix rdf: . @prefix rdfs: . @prefix term: . @prefix xsd: . a owl:Ontology ; term:abstract "CIF core ontology generated from the CIF core definitions at https://raw.githubusercontent.com/COMCIFS/cif_core/master/"^^xsd:string ; owl:versionIRI . :_atom_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :ATOM ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_atom_ROW ], cif_:TABLE ; core:prefLabel "atom_TABLE"@en . :_atom_site_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :ATOM_SITE ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_atom_site_ROW ], cif_:TABLE ; core:prefLabel "atom_site_TABLE"@en . :_atom_site_aniso_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :ATOM_SITE_ANISO ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_atom_site_aniso_ROW ], cif_:TABLE ; core:prefLabel "atom_site_aniso_TABLE"@en . :_atom_sites_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_atom_sites_ROW ], [ a owl:Restriction ; owl:allValuesFrom :ATOM_SITES ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "atom_sites_TABLE"@en . :_atom_sites_cartn_transform_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :ATOM_SITES_CARTN_TRANSFORM ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_atom_sites_cartn_transform_ROW ], cif_:TABLE ; core:prefLabel "atom_sites_cartn_transform_TABLE"@en . :_atom_sites_fract_transform_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :ATOM_SITES_FRACT_TRANSFORM ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_atom_sites_fract_transform_ROW ], cif_:TABLE ; core:prefLabel "atom_sites_fract_transform_TABLE"@en . :_atom_type_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_atom_type_ROW ], [ a owl:Restriction ; owl:allValuesFrom :ATOM_TYPE ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "atom_type_TABLE"@en . :_atom_type_scat_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_atom_type_scat_ROW ], [ a owl:Restriction ; owl:allValuesFrom :ATOM_TYPE_SCAT ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "atom_type_scat_TABLE"@en . :_audit_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :AUDIT ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_audit_ROW ], cif_:TABLE ; core:prefLabel "audit_TABLE"@en . :_audit_author_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :AUDIT_AUTHOR ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_audit_author_ROW ], cif_:TABLE ; core:prefLabel "audit_author_TABLE"@en . :_audit_author_role_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :AUDIT_AUTHOR_ROLE ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_audit_author_role_ROW ], cif_:TABLE ; core:prefLabel "audit_author_role_TABLE"@en . :_audit_conform_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_audit_conform_ROW ], [ a owl:Restriction ; owl:allValuesFrom :AUDIT_CONFORM ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "audit_conform_TABLE"@en . :_audit_contact_author_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :AUDIT_CONTACT_AUTHOR ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_audit_contact_author_ROW ], cif_:TABLE ; core:prefLabel "audit_contact_author_TABLE"@en . :_audit_link_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :AUDIT_LINK ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_audit_link_ROW ], cif_:TABLE ; core:prefLabel "audit_link_TABLE"@en . :_audit_support_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :AUDIT_SUPPORT ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_audit_support_ROW ], cif_:TABLE ; core:prefLabel "audit_support_TABLE"@en . :_cell_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :CELL ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_cell_ROW ], cif_:TABLE ; core:prefLabel "cell_TABLE"@en . :_cell_measurement_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :CELL_MEASUREMENT ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_cell_measurement_ROW ], cif_:TABLE ; core:prefLabel "cell_measurement_TABLE"@en . :_cell_measurement_refln_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :CELL_MEASUREMENT_REFLN ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_cell_measurement_refln_ROW ], cif_:TABLE ; core:prefLabel "cell_measurement_refln_TABLE"@en . :_chemical_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :CHEMICAL ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_chemical_ROW ], cif_:TABLE ; core:prefLabel "chemical_TABLE"@en . :_chemical_conn_atom_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_chemical_conn_atom_ROW ], [ a owl:Restriction ; owl:allValuesFrom :CHEMICAL_CONN_ATOM ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "chemical_conn_atom_TABLE"@en . :_chemical_conn_bond_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_chemical_conn_bond_ROW ], [ a owl:Restriction ; owl:allValuesFrom :CHEMICAL_CONN_BOND ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "chemical_conn_bond_TABLE"@en . :_chemical_formula_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_chemical_formula_ROW ], [ a owl:Restriction ; owl:allValuesFrom :CHEMICAL_FORMULA ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "chemical_formula_TABLE"@en . :_cif_core_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :CIF_CORE ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_cif_core_ROW ], cif_:TABLE ; core:prefLabel "cif_core_TABLE"@en . :_citation_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :CITATION ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_citation_ROW ], cif_:TABLE ; core:prefLabel "citation_TABLE"@en . :_citation_author_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_citation_author_ROW ], [ a owl:Restriction ; owl:allValuesFrom :CITATION_AUTHOR ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "citation_author_TABLE"@en . :_citation_editor_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_citation_editor_ROW ], [ a owl:Restriction ; owl:allValuesFrom :CITATION_EDITOR ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "citation_editor_TABLE"@en . :_computing_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :COMPUTING ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_computing_ROW ], cif_:TABLE ; core:prefLabel "computing_TABLE"@en . :_database_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_database_ROW ], [ a owl:Restriction ; owl:allValuesFrom :DATABASE ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "database_TABLE"@en . :_database_code_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_database_code_ROW ], [ a owl:Restriction ; owl:allValuesFrom :DATABASE_CODE ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "database_code_TABLE"@en . :_database_related_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :DATABASE_RELATED ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_database_related_ROW ], cif_:TABLE ; core:prefLabel "database_related_TABLE"@en . :_diffraction_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffraction_ROW ], [ a owl:Restriction ; owl:allValuesFrom :DIFFRACTION ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "diffraction_TABLE"@en . :_diffrn_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :DIFFRN ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_ROW ], cif_:TABLE ; core:prefLabel "diffrn_TABLE"@en . :_diffrn_attenuator_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_attenuator_ROW ], [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_ATTENUATOR ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "diffrn_attenuator_TABLE"@en . :_diffrn_detector_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_DETECTOR ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_detector_ROW ], cif_:TABLE ; core:prefLabel "diffrn_detector_TABLE"@en . :_diffrn_measurement_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_MEASUREMENT ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_measurement_ROW ], cif_:TABLE ; core:prefLabel "diffrn_measurement_TABLE"@en . :_diffrn_orient_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_ORIENT ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_orient_ROW ], cif_:TABLE ; core:prefLabel "diffrn_orient_TABLE"@en . :_diffrn_orient_matrix_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_orient_matrix_ROW ], [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_ORIENT_MATRIX ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "diffrn_orient_matrix_TABLE"@en . :_diffrn_orient_refln_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_ORIENT_REFLN ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_orient_refln_ROW ], cif_:TABLE ; core:prefLabel "diffrn_orient_refln_TABLE"@en . :_diffrn_radiation_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_radiation_ROW ], [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_RADIATION ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "diffrn_radiation_TABLE"@en . :_diffrn_radiation_wavelength_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_RADIATION_WAVELENGTH ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_radiation_wavelength_ROW ], cif_:TABLE ; core:prefLabel "diffrn_radiation_wavelength_TABLE"@en . :_diffrn_refln_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_refln_ROW ], [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_REFLN ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "diffrn_refln_TABLE"@en . :_diffrn_reflns_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_REFLNS ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_reflns_ROW ], cif_:TABLE ; core:prefLabel "diffrn_reflns_TABLE"@en . :_diffrn_reflns_class_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_REFLNS_CLASS ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_reflns_class_ROW ], cif_:TABLE ; core:prefLabel "diffrn_reflns_class_TABLE"@en . :_diffrn_reflns_transf_matrix_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_reflns_transf_matrix_ROW ], [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_REFLNS_TRANSF_MATRIX ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "diffrn_reflns_transf_matrix_TABLE"@en . :_diffrn_scale_group_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_SCALE_GROUP ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_scale_group_ROW ], cif_:TABLE ; core:prefLabel "diffrn_scale_group_TABLE"@en . :_diffrn_source_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_source_ROW ], [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_SOURCE ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "diffrn_source_TABLE"@en . :_diffrn_standard_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_standard_ROW ], [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_STANDARD ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "diffrn_standard_TABLE"@en . :_diffrn_standard_refln_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_diffrn_standard_refln_ROW ], [ a owl:Restriction ; owl:allValuesFrom :DIFFRN_STANDARD_REFLN ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "diffrn_standard_refln_TABLE"@en . :_display_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_display_ROW ], [ a owl:Restriction ; owl:allValuesFrom :DISPLAY ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "display_TABLE"@en . :_display_colour_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :DISPLAY_COLOUR ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_display_colour_ROW ], cif_:TABLE ; core:prefLabel "display_colour_TABLE"@en . :_exptl_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :EXPTL ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_exptl_ROW ], cif_:TABLE ; core:prefLabel "exptl_TABLE"@en . :_exptl_absorpt_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :EXPTL_ABSORPT ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_exptl_absorpt_ROW ], cif_:TABLE ; core:prefLabel "exptl_absorpt_TABLE"@en . :_exptl_crystal_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_exptl_crystal_ROW ], [ a owl:Restriction ; owl:allValuesFrom :EXPTL_CRYSTAL ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "exptl_crystal_TABLE"@en . :_exptl_crystal_appearance_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_exptl_crystal_appearance_ROW ], [ a owl:Restriction ; owl:allValuesFrom :EXPTL_CRYSTAL_APPEARANCE ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "exptl_crystal_appearance_TABLE"@en . :_exptl_crystal_face_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_exptl_crystal_face_ROW ], [ a owl:Restriction ; owl:allValuesFrom :EXPTL_CRYSTAL_FACE ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "exptl_crystal_face_TABLE"@en . :_function_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_function_ROW ], [ a owl:Restriction ; owl:allValuesFrom :FUNCTION ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "function_TABLE"@en . :_geom_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_geom_ROW ], [ a owl:Restriction ; owl:allValuesFrom :GEOM ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "geom_TABLE"@en . :_geom_angle_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_geom_angle_ROW ], [ a owl:Restriction ; owl:allValuesFrom :GEOM_ANGLE ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "geom_angle_TABLE"@en . :_geom_bond_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_geom_bond_ROW ], [ a owl:Restriction ; owl:allValuesFrom :GEOM_BOND ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "geom_bond_TABLE"@en . :_geom_contact_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_geom_contact_ROW ], [ a owl:Restriction ; owl:allValuesFrom :GEOM_CONTACT ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "geom_contact_TABLE"@en . :_geom_hbond_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_geom_hbond_ROW ], [ a owl:Restriction ; owl:allValuesFrom :GEOM_HBOND ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "geom_hbond_TABLE"@en . :_geom_torsion_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :GEOM_TORSION ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_geom_torsion_ROW ], cif_:TABLE ; core:prefLabel "geom_torsion_TABLE"@en . :_journal_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :JOURNAL ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_journal_ROW ], cif_:TABLE ; core:prefLabel "journal_TABLE"@en . :_journal_coeditor_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_journal_coeditor_ROW ], [ a owl:Restriction ; owl:allValuesFrom :JOURNAL_COEDITOR ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "journal_coeditor_TABLE"@en . :_journal_date_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_journal_date_ROW ], [ a owl:Restriction ; owl:allValuesFrom :JOURNAL_DATE ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "journal_date_TABLE"@en . :_journal_index_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_journal_index_ROW ], [ a owl:Restriction ; owl:allValuesFrom :JOURNAL_INDEX ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "journal_index_TABLE"@en . :_journal_techeditor_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :JOURNAL_TECHEDITOR ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_journal_techeditor_ROW ], cif_:TABLE ; core:prefLabel "journal_techeditor_TABLE"@en . :_model_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :MODEL ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_model_ROW ], cif_:TABLE ; core:prefLabel "model_TABLE"@en . :_model_site_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :MODEL_SITE ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_model_site_ROW ], cif_:TABLE ; core:prefLabel "model_site_TABLE"@en . :_publ_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_publ_ROW ], [ a owl:Restriction ; owl:allValuesFrom :PUBL ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "publ_TABLE"@en . :_publ_author_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :PUBL_AUTHOR ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_publ_author_ROW ], cif_:TABLE ; core:prefLabel "publ_author_TABLE"@en . :_publ_body_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_publ_body_ROW ], [ a owl:Restriction ; owl:allValuesFrom :PUBL_BODY ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "publ_body_TABLE"@en . :_publ_contact_author_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :PUBL_CONTACT_AUTHOR ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_publ_contact_author_ROW ], cif_:TABLE ; core:prefLabel "publ_contact_author_TABLE"@en . :_publ_manuscript_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :PUBL_MANUSCRIPT ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_publ_manuscript_ROW ], cif_:TABLE ; core:prefLabel "publ_manuscript_TABLE"@en . :_publ_manuscript_incl_extra_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_publ_manuscript_incl_extra_ROW ], [ a owl:Restriction ; owl:allValuesFrom :PUBL_MANUSCRIPT_INCL_EXTRA ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "publ_manuscript_incl_extra_TABLE"@en . :_publ_requested_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :PUBL_REQUESTED ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_publ_requested_ROW ], cif_:TABLE ; core:prefLabel "publ_requested_TABLE"@en . :_publ_section_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_publ_section_ROW ], [ a owl:Restriction ; owl:allValuesFrom :PUBL_SECTION ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "publ_section_TABLE"@en . :_publication_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_publication_ROW ], [ a owl:Restriction ; owl:allValuesFrom :PUBLICATION ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "publication_TABLE"@en . :_refine_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_refine_ROW ], [ a owl:Restriction ; owl:allValuesFrom :REFINE ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "refine_TABLE"@en . :_refine_diff_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :REFINE_DIFF ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_refine_diff_ROW ], cif_:TABLE ; core:prefLabel "refine_diff_TABLE"@en . :_refine_ls_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_refine_ls_ROW ], [ a owl:Restriction ; owl:allValuesFrom :REFINE_LS ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "refine_ls_TABLE"@en . :_refine_ls_class_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_refine_ls_class_ROW ], [ a owl:Restriction ; owl:allValuesFrom :REFINE_LS_CLASS ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "refine_ls_class_TABLE"@en . :_refln_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :REFLN ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_refln_ROW ], cif_:TABLE ; core:prefLabel "refln_TABLE"@en . :_reflns_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :REFLNS ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_reflns_ROW ], cif_:TABLE ; core:prefLabel "reflns_TABLE"@en . :_reflns_class_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :REFLNS_CLASS ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_reflns_class_ROW ], cif_:TABLE ; core:prefLabel "reflns_class_TABLE"@en . :_reflns_scale_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_reflns_scale_ROW ], [ a owl:Restriction ; owl:allValuesFrom :REFLNS_SCALE ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "reflns_scale_TABLE"@en . :_reflns_shell_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :REFLNS_SHELL ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_reflns_shell_ROW ], cif_:TABLE ; core:prefLabel "reflns_shell_TABLE"@en . :_space_group_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :SPACE_GROUP ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_space_group_ROW ], cif_:TABLE ; core:prefLabel "space_group_TABLE"@en . :_space_group_generator_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :SPACE_GROUP_GENERATOR ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_space_group_generator_ROW ], cif_:TABLE ; core:prefLabel "space_group_generator_TABLE"@en . :_space_group_symop_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :SPACE_GROUP_SYMOP ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_space_group_symop_ROW ], cif_:TABLE ; core:prefLabel "space_group_symop_TABLE"@en . :_space_group_wyckoff_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_space_group_wyckoff_ROW ], [ a owl:Restriction ; owl:allValuesFrom :SPACE_GROUP_WYCKOFF ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "space_group_wyckoff_TABLE"@en . :_structure_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_structure_ROW ], [ a owl:Restriction ; owl:allValuesFrom :STRUCTURE ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "structure_TABLE"@en . :_valence_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :VALENCE ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_valence_ROW ], cif_:TABLE ; core:prefLabel "valence_TABLE"@en . :_valence_param_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:allValuesFrom :VALENCE_PARAM ; owl:onProperty cif_:hasSpatialPart ], [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_valence_param_ROW ], cif_:TABLE ; core:prefLabel "valence_param_TABLE"@en . :_valence_ref_TABLE a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom :_valence_ref_ROW ], [ a owl:Restriction ; owl:allValuesFrom :VALENCE_REF ; owl:onProperty cif_:hasSpatialPart ], cif_:TABLE ; core:prefLabel "valence_ref_TABLE"@en . a owl:Ontology ; term:abstract """The top-level of the CIF domain ontology. It tries to ahead to the CIF methods dictionary definition language (DDLm) available on https://github.com/COMCIFS/cif_core."""@en ; term:creator "Casper Welzel Andersen, EPFL"@en, "Emanuele Ghedini, University of Bologne"@en, "Francesca Lønstad Bleken, SINTEF"@en, "James Hester"@en, "Jesper Friis, SINTEF"@en, "Saulius Gražulis"@en, "Stuart Chalk"@en ; term:license "https://creativecommons.org/licenses/by/4.0/legalcode" ; owl:versionIRI . cif_:ByReference a owl:Class ; rdfs:comment "The contents have the same form as those of the attribute referenced by '_type.contents_referenced_id'."@en ; rdfs:subClassOf cif_:Text ; core:prefLabel "ByReference"@en . cif_:CIF_DATA a owl:Class ; rdfs:comment "A class representing the content of a CIF file."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom cif_:CIF_DATA_BLOCK ], cif_:CIF ; core:prefLabel "CIF_DATA"@en . cif_:COLUMN a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom cif_:DATA_VALUE ], cif_:DATA_ITEMS ; core:prefLabel "COLUMN"@en . cif_:Dimension a owl:Class ; rdfs:comment """Size of an Array/Matrix/List expressed as a text string. The text string itself consists of zero or more non-negative integers separated by commas placed within bounding square brackets. Empty square brackets represent a list of unknown size."""@en ; rdfs:subClassOf cif_:Text ; core:prefLabel "Dimension"@en . cif_:Name a owl:Class ; rdfs:comment "Case-insensitive sequence of ASCII alpha-numeric characters or underscore."@en ; rdfs:subClassOf cif_:Code ; core:prefLabel "Name"@en . cif_:Range a owl:Class ; rdfs:comment "Inclusive range of numerical values min:max."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onClass cif_:Real ; owl:onProperty cif_:hasSpatialDirectPart ; owl:qualifiedCardinality "2"^^xsd:nonNegativeInteger ], cif_:Single ; core:prefLabel "Range"@en . cif_:Uri a owl:Class ; rdfs:comment "Uniform Resource Identifier reference as defined in RFC 3986 Section 4.1."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onDataRange xsd:anyURI ; owl:onProperty cif_:hasUriData ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ], cif_:Single ; core:prefLabel "Uri"@en . cif_:Version a owl:Class ; rdfs:comment "Version digit string of the form \"..\"."@en ; rdfs:subClassOf cif_:Text ; core:prefLabel "Version"@en . cif_:_dimension a owl:AnnotationProperty ; cif_:example "[3,4]"@en ; rdfs:comment "Correspond to the '_type.dimension' data item."@en, "Size of an Array/Matrix/List expressed as a text string. The text string itself consists of zero or more non-negative integers separated by commas placed within bounding square brackets. Empty square brackets represent a list of unknown size."@en ; core:prefLabel "_dimension"@en . cif_:_name a owl:AnnotationProperty ; rdfs:comment "Name associated with a data item."@en ; rdfs:domain ; rdfs:range xsd:string ; core:prefLabel "_name"@en . cif_:_type a owl:AnnotationProperty ; rdfs:comment "Correspond to the '_type.contents' data item."@en, "Type of CIF data value."@en ; core:prefLabel "_datatype"@en . cif_:_unit a owl:AnnotationProperty ; rdfs:comment "Unit accociated to a data item."@en ; rdfs:domain ; rdfs:range xsd:string ; core:prefLabel "_unit"@en . cif_:example a owl:AnnotationProperty ; rdfs:comment "Illustrative example of how the entity is used."@en ; rdfs:subPropertyOf rdfs:comment ; core:prefLabel "example"@en . term:abstract a owl:AnnotationProperty . term:contributor a owl:AnnotationProperty . term:creator a owl:AnnotationProperty . term:license a owl:AnnotationProperty . core:altLabel a owl:AnnotationProperty ; rdfs:subPropertyOf rdfs:label . core:prefLabel a owl:AnnotationProperty ; rdfs:subPropertyOf rdfs:label . :ATOM a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe atomic information used in crystallographic structure studies."""@en ; rdfs:subClassOf cif_:CATEGORY ; core:prefLabel "ATOM"@en . :ATOM_SITE a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe atom site information used in crystallographic structure studies."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_atom_site_refinement_flags_occupancy :_atom_site_Cartn_xyz :_atom_site_B_equiv_geom_mean_su :_atom_site_description :_atom_site_U_equiv_geom_mean :_atom_site_label_component_1 :_atom_site_fract_xyz :_atom_site_disorder_assembly :_atom_site_disorder_group :_atom_site_calc_attached_atom :_atom_site_label_component_4 :_atom_site_B_iso_or_equiv :_atom_site_type_symbol :_atom_site_Cartn_y :_atom_site_constraints :_atom_site_refinement_flags :_atom_site_B_iso_or_equiv_su :_atom_site_label_component_3 :_atom_site_label_component_5 :_atom_site_fract_y :_atom_site_Cartn_x_su :_atom_site_occupancy :_atom_site_restraints :_atom_site_fract_z_su :_atom_site_label :_atom_site_chemical_conn_number :_atom_site_U_iso_or_equiv_su :_atom_site_refinement_flags_posn :_atom_site_refinement_flags_adp :_atom_site_U_iso_or_equiv :_atom_site_attached_hydrogens :_atom_site_Cartn_z :_atom_site_tensor_beta :_atom_site_fract_x :_atom_site_adp_type :_atom_site_B_equiv_geom_mean :_atom_site_Cartn_x :_atom_site_U_equiv_geom_mean_su :_atom_site_Cartn_y_su :_atom_site_occupancy_su :_atom_site_fract_y_su :_atom_site_fract_x_su :_atom_site_label_component_0 :_atom_site_calc_flag :_atom_site_site_symmetry_order :_atom_site_label_component_2 :_atom_site_Cartn_z_su :_atom_site_fract_z :_atom_site_site_symmetry_multiplicity :_atom_site_Wyckoff_symbol :_atom_site_label_component_6 ) ; core:prefLabel "ATOM_SITE"@en . :ATOM_SITES a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe information which applies to all atom sites in a crystal structure."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_atom_sites_solution_hydrogens :_atom_sites_solution_secondary :_atom_sites_solution_primary :_atom_sites_special_details ) ; core:prefLabel "ATOM_SITES"@en . :ATOM_SITES_CARTN_TRANSFORM a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe the matrix elements used to transform fractional coordinates into Cartesian coordinates of all atom sites in a crystal structure."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_atom_sites_Cartn_transform_mat_11 :_atom_sites_Cartn_transform_matrix :_atom_sites_Cartn_transform_mat_22 :_atom_sites_Cartn_transform_mat_31 :_atom_sites_Cartn_transform_mat_13 :_atom_sites_Cartn_transform_mat_23 :_atom_sites_Cartn_transform_vec_1 :_atom_sites_Cartn_transform_mat_12 :_atom_sites_Cartn_transform_mat_33 :_atom_sites_Cartn_transform_mat_32 :_atom_sites_Cartn_transform_vector :_atom_sites_Cartn_transform_vec_2 :_atom_sites_Cartn_transform_vec_3 :_atom_sites_Cartn_transform_axes :_atom_sites_Cartn_transform_mat_21 ) ; core:prefLabel "ATOM_SITES_CARTN_TRANSFORM"@en . :ATOM_SITES_FRACT_TRANSFORM a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe the matrix elements used to transform Cartesian coordinates into fractional coordinates of all atom sites in a crystal structure."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_atom_sites_fract_transform_mat_22 :_atom_sites_fract_transform_mat_21 :_atom_sites_fract_transform_mat_11 :_atom_sites_fract_transform_axes :_atom_sites_fract_transform_vec_3 :_atom_sites_fract_transform_vector :_atom_sites_fract_transform_matrix :_atom_sites_fract_transform_vec_2 :_atom_sites_fract_transform_mat_23 :_atom_sites_fract_transform_vec_1 :_atom_sites_fract_transform_mat_32 :_atom_sites_fract_transform_mat_13 :_atom_sites_fract_transform_mat_33 :_atom_sites_fract_transform_mat_31 :_atom_sites_fract_transform_mat_12 ) ; core:prefLabel "ATOM_SITES_FRACT_TRANSFORM"@en . :ATOM_SITE_ANISO a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe the anisotropic thermal parameters of the atomic sites in a crystal structure."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_atom_site_aniso_U_23_su :_atom_site_aniso_U_13_su :_atom_site_aniso_U_11_su :_atom_site_aniso_ratio :_atom_site_aniso_B_13 :_atom_site_aniso_U_22_su :_atom_site_aniso_U_12 :_atom_site_aniso_B_33_su :_atom_site_aniso_B_11 :_atom_site_aniso_U_33_su :_atom_site_aniso_U_12_su :_atom_site_aniso_label :_atom_site_aniso_matrix_B :_atom_site_aniso_B_23 :_atom_site_aniso_B_11_su :_atom_site_aniso_type_symbol :_atom_site_aniso_U_33 :_atom_site_aniso_B_23_su :_atom_site_aniso_B_12 :_atom_site_aniso_B_22 :_atom_site_aniso_U_22 :_atom_site_aniso_B_22_su :_atom_site_aniso_U_13 :_atom_site_aniso_B_12_su :_atom_site_aniso_matrix_U :_atom_site_aniso_B_33 :_atom_site_aniso_U_11 :_atom_site_aniso_B_13_su :_atom_site_aniso_U_23 ) ; core:prefLabel "ATOM_SITE_ANISO"@en . :ATOM_TYPE a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe atomic type information used in crystallographic structure studies."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_atom_type_atomic_mass :_atom_type_key :_atom_type_electron_count :_atom_type_display_colour :_atom_type_oxidation_number :_atom_type_radius_bond :_atom_type_atomic_number :_atom_type_radius_contact :_atom_type_description :_atom_type_number_in_cell :_atom_type_symbol :_atom_type_analytical_mass_percent :_atom_type_element_symbol ) ; core:prefLabel "ATOM_TYPE"@en . :ATOM_TYPE_SCAT a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe atomic scattering information used in crystallographic structure studies."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_atom_type_scat_length_neutron :_atom_type_scat_Cromer_Mann_a2 :_atom_type_scat_Cromer_Mann_a1 :_atom_type_scat_source :_atom_type_scat_hi_ang_Fox_c1 :_atom_type_scat_Cromer_Mann_coeffs :_atom_type_scat_Cromer_Mann_b3 :_atom_type_scat_Cromer_Mann_b4 :_atom_type_scat_Cromer_Mann_b1 :_atom_type_scat_dispersion_source :_atom_type_scat_hi_ang_Fox_c3 :_atom_type_scat_dispersion_imag_mo :_atom_type_scat_hi_ang_Fox_c2 :_atom_type_scat_hi_ang_Fox_coeffs :_atom_type_scat_dispersion_real_mo :_atom_type_scat_Cromer_Mann_b2 :_atom_type_scat_hi_ang_Fox_c0 :_atom_type_scat_dispersion_real_cu :_atom_type_scat_symbol :_atom_type_scat_Cromer_Mann_a3 :_atom_type_scat_dispersion_real :_atom_type_scat_Cromer_Mann_c :_atom_type_scat_dispersion_imag_cu :_atom_type_scat_Cromer_Mann_a4 :_atom_type_scat_dispersion :_atom_type_scat_dispersion_imag :_atom_type_scat_versus_stol_list ) ; core:prefLabel "ATOM_TYPE_SCAT"@en . :AUDIT a owl:Class ; rdfs:comment """ The CATEGORY of data items used to record details about the creation and subsequent updating of the data block."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_audit_block_code :_audit_update_record :_audit_block_doi :_audit_creation_method :_audit_schema :_audit_creation_date ) ; core:prefLabel "AUDIT"@en . :AUDIT_AUTHOR a owl:Class ; rdfs:comment """ The CATEGORY of data items used for author(s) details."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_audit_author_address :_audit_author_name :_audit_author_id_orcid :_audit_author_id ) ; core:prefLabel "AUDIT_AUTHOR"@en . :AUDIT_AUTHOR_ROLE a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe the role that authors took in the production of the dataset."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_audit_author_role_special_details :_audit_author_role_id :_audit_author_role_role ) ; core:prefLabel "AUDIT_AUTHOR_ROLE"@en . :AUDIT_CONFORM a owl:Class ; rdfs:comment """ The CATEGORY of data items used describe dictionary versions by which data names in the current data block are conformant."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_audit_conform_dict_version :_audit_conform_dict_location :_audit_conform_dict_name ) ; core:prefLabel "AUDIT_CONFORM"@en . :AUDIT_CONTACT_AUTHOR a owl:Class ; rdfs:comment """ The CATEGORY of data items used for contact author(s) details."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_audit_contact_author_address :_audit_contact_author_email :_audit_contact_author_id :_audit_contact_author_fax :_audit_contact_author_phone :_audit_contact_author_name ) ; core:prefLabel "AUDIT_CONTACT_AUTHOR"@en . :AUDIT_LINK a owl:Class ; rdfs:comment """ The CATEGORY of data items used to record details about the relationships between data blocks in the current CIF."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_audit_link_block_description :_audit_link_block_code ) ; core:prefLabel "AUDIT_LINK"@en . :AUDIT_SUPPORT a owl:Class ; rdfs:comment """ Data items in the AUDIT_SUPPORT category record details about the funding support for the data collected and analysed in the data set."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_audit_support_award_type :_audit_support_id :_audit_support_funding_organization_doi :_audit_support_funding_organization :_audit_support_award_number :_audit_support_award_recipient ) ; core:prefLabel "AUDIT_SUPPORT"@en . :CELL a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe the parameters of the crystal unit cell and their measurement."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_cell_reciprocal_angle_beta_su :_cell_reciprocal_vector_c :_cell_reciprocal_vector_a :_cell_length_c_su :_cell_length_c :_cell_reciprocal_angle_alpha_su :_cell_length_a_su :_cell_length_b_su :_cell_volume_su :_cell_angle_gamma :_cell_convert_Uiso_to_Uij :_cell_reciprocal_length_c_su :_cell_angle_beta :_cell_reciprocal_length_a :_cell_atomic_mass :_cell_reciprocal_vector_b :_cell_reciprocal_length_a_su :_cell_convert_Uij_to_betaij :_cell_formula_units_Z :_cell_angle_alpha :_cell_vector_c :_cell_angle_alpha_su :_cell_special_details :_cell_reciprocal_metric_tensor :_cell_length_b :_cell_metric_tensor :_cell_length_a :_cell_reciprocal_length_b :_cell_reciprocal_angle_gamma :_cell_orthogonal_matrix :_cell_reciprocal_orthogonal_matrix :_cell_angle_beta_su :_cell_vector_b :_cell_reciprocal_angle_gamma_su :_cell_reciprocal_angle_alpha :_cell_reciprocal_length_b_su :_cell_reciprocal_length_c :_cell_volume :_cell_reciprocal_angle_beta :_cell_angle_gamma_su :_cell_vector_a ) ; core:prefLabel "CELL"@en . :CELL_MEASUREMENT a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe the angles between the axes in the crystal unit cell."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_cell_measurement_wavelength :_cell_measurement_theta_max :_cell_measurement_temperature_su :_cell_measurement_theta_min :_cell_measurement_reflns_used :_cell_measurement_pressure :_cell_measurement_pressure_su :_cell_measurement_radiation :_cell_measurement_temperature ) ; core:prefLabel "CELL_MEASUREMENT"@en . :CELL_MEASUREMENT_REFLN a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe the reflection data used in the measurement of the crystal unit cell."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_cell_measurement_refln_index_k :_cell_measurement_refln_index_h :_cell_measurement_refln_index_l :_cell_measurement_refln_hkl :_cell_measurement_refln_theta ) ; core:prefLabel "CELL_MEASUREMENT_REFLN"@en . :CHEMICAL a owl:Class ; rdfs:comment """ The CATEGORY of data items which describe the composition and chemical properties of the compound under study. The formula data items must be consistent with the density, unit-cell and Z values."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_chemical_temperature_sublimation_gt :_chemical_melting_point :_chemical_name_common :_chemical_optical_rotation :_chemical_identifier_inchi_version :_chemical_melting_point_gt :_chemical_name_systematic :_chemical_temperature_decomposition_su :_chemical_properties_biological :_chemical_temperature_decomposition_lt :_chemical_temperature_decomposition_gt :_chemical_compound_source :_chemical_absolute_configuration :_chemical_identifier_inchi :_chemical_enantioexcess_bulk_technique :_chemical_temperature_sublimation :_chemical_identifier_inchi_key :_chemical_temperature_sublimation_lt :_chemical_properties_physical :_chemical_temperature_sublimation_su :_chemical_enantioexcess_crystal :_chemical_temperature_decomposition :_chemical_enantioexcess_crystal_technique :_chemical_name_structure_type :_chemical_name_mineral :_chemical_enantioexcess_bulk :_chemical_melting_point_lt ) ; core:prefLabel "CHEMICAL"@en . :CHEMICAL_CONN_ATOM a owl:Class ; rdfs:comment """ The CATEGORY of data items which describe the 2D chemical structure of the molecular species. They allow a 2D chemical diagram to be reconstructed for use in a publication or in a database search for structural and substructural relationships. In particular, the chemical_conn_atom data items provide information about the chemical properties of the atoms in the structure. In cases where crystallographic and molecular symmetry elements coincide they must also contain symmetry-generated atoms, so as to describe a complete chemical entity. """@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_chemical_conn_atom_display_y :_chemical_conn_atom_type_symbol :_chemical_conn_atom_display_x :_chemical_conn_atom_NH :_chemical_conn_atom_number :_chemical_conn_atom_NCA :_chemical_conn_atom_charge ) ; core:prefLabel "CHEMICAL_CONN_ATOM"@en . :CHEMICAL_CONN_BOND a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the connections between the atoms sites in the chemical_conn_atom list and the nature of the chemical bond between these atoms. These are details about the two-dimensional (2D) chemical structure of the molecular species. They allow a 2D chemical diagram to be reconstructed for use in a publication or in a database search for structural and substructural relationships. """@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_chemical_conn_bond_type :_chemical_conn_bond_id :_chemical_conn_bond_atom_1 :_chemical_conn_bond_distance :_chemical_conn_bond_atom_2 ) ; core:prefLabel "CHEMICAL_CONN_BOND"@en . :CHEMICAL_FORMULA a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the composition and chemical properties of the compound. The formula data items must agree with those that specify the density, unit-cell and Z values. The following rules apply to the construction of the data items _chemical_formula.analytical, *.structural and *.sum. For the data item *.moiety the formula construction is broken up into residues or moieties, i.e. groups of atoms that form a molecular unit or molecular ion. The rules given below apply within each moiety but different requirements apply to the way that moieties are connected (see _chemical_formula.moiety). 1. Only recognized element symbols may be used. 2. Each element symbol is followed by a 'count' number. A count of '1' may be omitted. 3. A space or parenthesis must separate each cluster of (element symbol + count). 4. Where a group of elements is enclosed in parentheses, the multiplier for the group must follow the closing parentheses. That is, all element and group multipliers are assumed to be printed as subscripted numbers. [An exception to this rule exists for *.moiety formulae where pre- and post-multipliers are permitted for molecular units]. 5. Unless the elements are ordered in a manner that corresponds to their chemical structure, as in _chemical_formula.structural, the order of the elements within any group or moiety depends on whether or not carbon is present. If carbon is present, the order should be: C, then H, then the other elements in alphabetical order of their symbol. If carbon is not present, the elements are listed purely in alphabetic order of their symbol. This is the 'Hill' system used by Chemical Abstracts. This ordering is used in _chemical_formula.moiety and _chemical_formula.sum. _chemical_formula.iupac '[Mo (C O)4 (C18 H33 P)2]' _chemical_formula.moiety 'C40 H66 Mo O4 P2' _chemical_formula.structural '((C O)4 (P (C6 H11)3)2)Mo' _chemical_formula.sum 'C40 H66 Mo O4 P2' _chemical_formula.weight 768.81"""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_chemical_formula_sum :_chemical_formula_weight :_chemical_formula_weight_meas :_chemical_formula_iupac :_chemical_formula_moiety :_chemical_formula_structural :_chemical_formula_analytical ) ; core:prefLabel "CHEMICAL_FORMULA"@en . :CIF_CORE a owl:Class ; rdfs:comment """ The CIF_CORE group contains the definitions of data items that are common to all domains of crystallographic studies."""@en ; rdfs:subClassOf cif_:CATEGORY ; core:prefLabel "CIF_CORE"@en . :CITATION a owl:Class ; rdfs:comment """ Data items in the CITATION category record details about the literature cited as being relevant to the contents of the data block."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_citation_book_id_ISBN :_citation_database_id_Medline :_citation_journal_issue :_citation_journal_full :_citation_journal_volume :_citation_special_details :_citation_journal_id_ASTM :_citation_book_title :_citation_journal_id_ISSN :_citation_id :_citation_book_publisher :_citation_journal_abbrev :_citation_year :_citation_country :_citation_title :_citation_page_first :_citation_coordinate_linkage :_citation_database_id_CSD :_citation_doi :_citation_publisher :_citation_abstract_id_CAS :_citation_journal_id_CSD :_citation_page_last :_citation_book_publisher_city :_citation_abstract :_citation_language ) ; core:prefLabel "CITATION"@en . :CITATION_AUTHOR a owl:Class ; rdfs:comment """ Category of items describing citation author(s) details."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_citation_author_citation_id :_citation_author_key :_citation_author_name :_citation_author_ordinal ) ; core:prefLabel "CITATION_AUTHOR"@en . :CITATION_EDITOR a owl:Class ; rdfs:comment """ Category of items describing citation editor(s) details."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_citation_editor_ordinal :_citation_editor_name :_citation_editor_citation_id :_citation_editor_id ) ; core:prefLabel "CITATION_EDITOR"@en . :COMPUTING a owl:Class ; rdfs:comment """ The CATEGORY of data items used to record details of the computer programs used in the crystal structure analysis."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_computing_diffrn_collection :_computing_structure_solution :_computing_molecular_graphics :_computing_cell_refinement :_computing_diffrn_reduction :_computing_publication_material :_computing_structure_refinement ) ; core:prefLabel "COMPUTING"@en . :DATABASE a owl:Class ; rdfs:comment """ The CATEGORY of data items recording database deposition."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_database_dataset_doi :_database_journal_ASTM :_database_CSD_history :_database_journal_CSD ) ; core:prefLabel "DATABASE"@en . :DATABASE_CODE a owl:Class ; rdfs:comment """ The CATEGORY of data items recording database deposition. These data items are assigned by database managers and should only appear in a CIF if they originate from that source."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_database_code_PDB :_database_code_depnum_ccdc_archive :_database_code_CSD :_database_code_MDF :_database_code_depnum_ccdc_journal :_database_code_NBS :_database_code_COD :_database_code_ICSD :_database_code_PDF :_database_code_depnum_ccdc_fiz :_database_code_CAS ) ; core:prefLabel "DATABASE_CODE"@en . :DATABASE_RELATED a owl:Class ; rdfs:comment """ A category of items recording entries in databases that describe the same or related data. Databases wishing to insert their own canonical codes when archiving and delivering data blocks should use items from the DATABASE category. """@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_database_related_entry_code :_database_related_database_id :_database_related_id :_database_related_relation :_database_related_special_details ) ; core:prefLabel "DATABASE_RELATED"@en . :DIFFRACTION a owl:Class ; rdfs:comment """ The DICTIONARY group encompassing the CORE DIFFRACTION data items defined and used with in the Crystallographic Information Framework (CIF)."""@en ; rdfs:subClassOf cif_:CATEGORY ; core:prefLabel "DIFFRACTION"@en . :DIFFRN a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe the diffraction experiment."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_measured_fraction_theta_max :_diffrn_measured_fraction_theta_full :_diffrn_ambient_temperature :_diffrn_crystal_treatment :_diffrn_crystal_support :_diffrn_ambient_pressure :_diffrn_ambient_pressure_lt :_diffrn_ambient_temperature_su :_diffrn_ambient_environment :_diffrn_symmetry_description :_diffrn_ambient_pressure_su :_diffrn_ambient_temperature_details :_diffrn_special_details :_diffrn_ambient_temperature_lt :_diffrn_ambient_temperature_gt :_diffrn_ambient_pressure_gt ) ; core:prefLabel "DIFFRN"@en . :DIFFRN_ATTENUATOR a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the attenuators used in the diffraction source."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_attenuator_material :_diffrn_attenuator_code :_diffrn_attenuator_scale ) ; core:prefLabel "DIFFRN_ATTENUATOR"@en . :DIFFRN_DETECTOR a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the detectors used in the in the measurement of diffraction intensities."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_detector_make :_diffrn_detector_details :_diffrn_detector_dtime :_diffrn_detector_description :_diffrn_detector_area_resol_mean ) ; core:prefLabel "DIFFRN_DETECTOR"@en . :DIFFRN_MEASUREMENT a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the details of the diffraction measurement."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_measurement_device_class :_diffrn_measurement_device_details :_diffrn_measurement_specimen_attachment_type :_diffrn_measurement_method :_diffrn_measurement_specimen_support :_diffrn_measurement_details :_diffrn_measurement_device_make ) ; core:prefLabel "DIFFRN_MEASUREMENT"@en . :DIFFRN_ORIENT a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the orientation of the crystal axes to the diffractometer goniometer."""@en ; rdfs:subClassOf cif_:CATEGORY ; core:prefLabel "DIFFRN_ORIENT"@en . :DIFFRN_ORIENT_MATRIX a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the matrix specifying the orientation of the crystal axes to the diffractometer goniometer."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_orient_matrix_UB_21 :_diffrn_orient_matrix_UB_13 :_diffrn_orient_matrix_UB_31 :_diffrn_orient_matrix_UB_32 :_diffrn_orient_matrix_UB_23 :_diffrn_orient_matrix_UB_33 :_diffrn_orient_matrix_UB_22 :_diffrn_orient_matrix_type :_diffrn_orient_matrix_UB_11 :_diffrn_orient_matrix_UBIJ :_diffrn_orient_matrix_UB_12 ) ; core:prefLabel "DIFFRN_ORIENT_MATRIX"@en . :DIFFRN_ORIENT_REFLN a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the reflections used to calculate the matrix which gives the orientation of the crystal axes to the diffractometer goniometer."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_orient_refln_index_h :_diffrn_orient_refln_angle_kappa :_diffrn_orient_refln_index_l :_diffrn_orient_refln_angle_theta :_diffrn_orient_refln_index_k :_diffrn_orient_refln_angle_phi :_diffrn_orient_refln_angle_psi :_diffrn_orient_refln_angle_omega :_diffrn_orient_refln_hkl :_diffrn_orient_refln_angle_chi ) ; core:prefLabel "DIFFRN_ORIENT_REFLN"@en . :DIFFRN_RADIATION a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the wavelength of the radiation used in measuring diffraction intensities. Items may be looped to identify and assign weights to distinct wavelength components from a polychromatic beam."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_radiation_probe :_diffrn_radiation_xray_symbol :_diffrn_radiation_polarisn_ratio :_diffrn_radiation_monochromator :_diffrn_radiation_collimation :_diffrn_radiation_filter_edge :_diffrn_radiation_type :_diffrn_radiation_inhomogeneity :_diffrn_radiation_polarisn_norm ) ; core:prefLabel "DIFFRN_RADIATION"@en . :DIFFRN_RADIATION_WAVELENGTH a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the wavelength of the radiation used in measuring diffraction intensities. Items may be looped to identify and assign weights to distinct wavelength components from a polychromatic beam."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_radiation_wavelength_id :_diffrn_radiation_wavelength_determination :_diffrn_radiation_wavelength_details :_diffrn_radiation_wavelength_value :_diffrn_radiation_wavelength_wt :_diffrn_radiation_wavelength_value_su ) ; core:prefLabel "DIFFRN_RADIATION_WAVELENGTH"@en . :DIFFRN_REFLN a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the reflection measurements, prior to data reduction and merging."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_refln_counts_bg_2 :_diffrn_refln_angle_omega :_diffrn_refln_scale_group_code :_diffrn_refln_counts_total :_diffrn_refln_intensity_net :_diffrn_refln_wavelength :_diffrn_refln_counts_bg_1 :_diffrn_refln_scan_width :_diffrn_refln_index_l :_diffrn_refln_angle_kappa :_diffrn_refln_attenuator_code :_diffrn_refln_counts_peak :_diffrn_refln_hkl :_diffrn_refln_detect_slit_horiz :_diffrn_refln_scan_mode :_diffrn_refln_angle_psi :_diffrn_refln_index_h :_diffrn_refln_wavelength_id :_diffrn_refln_counts_net :_diffrn_refln_angle_theta :_diffrn_refln_sin_theta_over_lambda :_diffrn_refln_angle_chi :_diffrn_refln_standard_code :_diffrn_refln_intensity_net_su :_diffrn_refln_scan_rate :_diffrn_refln_index_k :_diffrn_refln_class_code :_diffrn_refln_scan_time_backgd :_diffrn_refln_scan_mode_backgd :_diffrn_refln_angle_phi :_diffrn_refln_detect_slit_vert :_diffrn_refln_elapsed_time ) ; core:prefLabel "DIFFRN_REFLN"@en . :DIFFRN_REFLNS a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the overall reflection measurement information."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_reflns_limit_min :_diffrn_reflns_point_measured_fraction_full :_diffrn_reflns_limit_h_max :_diffrn_reflns_theta_max :_diffrn_reflns_number :_diffrn_reflns_limit_k_max :_diffrn_reflns_limit_l_min :_diffrn_reflns_limit_k_min :_diffrn_reflns_theta_min :_diffrn_reflns_Laue_measured_fraction_max :_diffrn_reflns_limit_max :_diffrn_reflns_point_measured_fraction_max :_diffrn_reflns_Laue_measured_fraction_full :_diffrn_reflns_limit_h_min :_diffrn_reflns_av_R_equivalents :_diffrn_reflns_resolution_full :_diffrn_reflns_limit_l_max :_diffrn_reflns_theta_full :_diffrn_reflns_resolution_max :_diffrn_reflns_reduction_process :_diffrn_reflns_av_sunetI_over_netI ) ; core:prefLabel "DIFFRN_REFLNS"@en . :DIFFRN_REFLNS_CLASS a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify different classes of reflections in the raw measured diffraction data. """@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_reflns_class_av_suI_over_I :_diffrn_reflns_class_av_R_eq :_diffrn_reflns_class_code :_diffrn_reflns_class_description :_diffrn_reflns_class_d_res_high :_diffrn_reflns_class_number :_diffrn_reflns_class_d_res_low ) ; core:prefLabel "DIFFRN_REFLNS_CLASS"@en . :DIFFRN_REFLNS_TRANSF_MATRIX a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl. |11 12 13| (h k l) diffraction |21 22 23| = (h' k' l') |31 32 33|"""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_reflns_transf_matrix_22 :_diffrn_reflns_transf_matrix_21 :_diffrn_reflns_transf_matrix_13 :_diffrn_reflns_transf_matrix_TIJ :_diffrn_reflns_transf_matrix_33 :_diffrn_reflns_transf_matrix_12 :_diffrn_reflns_transf_matrix_11 :_diffrn_reflns_transf_matrix_31 :_diffrn_reflns_transf_matrix_23 :_diffrn_reflns_transf_matrix_32 ) ; core:prefLabel "DIFFRN_REFLNS_TRANSF_MATRIX"@en . :DIFFRN_SCALE_GROUP a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the groups of reflections in the raw measured diffraction data with different relative scales."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_scale_group_code :_diffrn_scale_group_I_net ) ; core:prefLabel "DIFFRN_SCALE_GROUP"@en . :DIFFRN_SOURCE a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify information about the radiation source."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_source_description :_diffrn_source_voltage :_diffrn_source_current :_diffrn_source_details :_diffrn_source_make :_diffrn_source_beamline :_diffrn_source_device :_diffrn_source_facility :_diffrn_source_power :_diffrn_source_take_off_angle :_diffrn_source_target :_diffrn_source_size ) ; core:prefLabel "DIFFRN_SOURCE"@en . :DIFFRN_STANDARD a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify information about the standard reflections used in the diffraction measurement process."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_standard_scale_su_average :_diffrn_standard_decay_percent :_diffrn_standard_interval_count :_diffrn_standard_interval_time :_diffrn_standard_number ) ; core:prefLabel "DIFFRN_STANDARD"@en . :DIFFRN_STANDARD_REFLN a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the "standard" reflections measured repeatedly to monitor variations in intensity due to source flux, environment conditions or crystal quality."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_diffrn_standard_refln_index_h :_diffrn_standard_refln_index_l :_diffrn_standard_refln_code :_diffrn_standard_refln_index_k :_diffrn_standard_refln_hkl ) ; core:prefLabel "DIFFRN_STANDARD_REFLN"@en . :DISPLAY a owl:Class ; rdfs:comment """ The CATEGORY of data items used to enumerate the display parameters used in the discipline."""@en ; rdfs:subClassOf cif_:CATEGORY ; core:prefLabel "DISPLAY"@en . :DISPLAY_COLOUR a owl:Class ; rdfs:comment """ The CATEGORY of data items used to enumerate the display colour codes used in the discipline."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_display_colour_red :_display_colour_hue :_display_colour_RGB :_display_colour_blue :_display_colour_green ) ; core:prefLabel "DISPLAY_COLOUR"@en . :EXPTL a owl:Class ; rdfs:comment """ The CATEGORY of data items used to specify the experimental work prior to diffraction measurements. These include crystallization crystal measurements and absorption-correction techniques used.."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_exptl_method_details :_exptl_transmission_factor_max :_exptl_crystals_number :_exptl_transmission_factor_min :_exptl_special_details :_exptl_method ) ; core:prefLabel "EXPTL"@en . :EXPTL_ABSORPT a owl:Class ; rdfs:comment """ The CATEGORY of data items used to specify the experimental details of the absorption measurements and corrections to the diffraction data."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_exptl_absorpt_process_details :_exptl_absorpt_correction_T_min :_exptl_absorpt_correction_type :_exptl_absorpt_correction_T_max :_exptl_absorpt_coefficient_mu ) ; core:prefLabel "EXPTL_ABSORPT"@en . :EXPTL_CRYSTAL a owl:Class ; rdfs:comment """ The CATEGORY of data items used to specify information about crystals used in the diffraction measurements."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_exptl_crystal_density_meas_gt :_exptl_crystal_density_meas_temp_su :_exptl_crystal_pressure_history :_exptl_crystal_density_meas_temp_gt :_exptl_crystal_preparation :_exptl_crystal_F_000 :_exptl_crystal_size_rad :_exptl_crystal_size_length :_exptl_crystal_density_meas_temp :_exptl_crystal_size_min :_exptl_crystal_density_meas_lt :_exptl_crystal_density_meas_temp_lt :_exptl_crystal_density_meas :_exptl_crystal_description :_exptl_crystal_thermal_history :_exptl_crystal_recrystallization_method :_exptl_crystal_density_meas_su :_exptl_crystal_density_diffrn :_exptl_crystal_size_max :_exptl_crystal_id :_exptl_crystal_size_mid :_exptl_crystal_density_method :_exptl_crystal_colour ) ; core:prefLabel "EXPTL_CRYSTAL"@en . :EXPTL_CRYSTAL_APPEARANCE a owl:Class ; rdfs:comment """ The CATEGORY of ENUMERATION items used to specify information about the crystal colour and appearance."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_exptl_crystal_appearance_general :_exptl_crystal_appearance_hue :_exptl_crystal_appearance_intensity ) ; core:prefLabel "EXPTL_CRYSTAL_APPEARANCE"@en . :EXPTL_CRYSTAL_FACE a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the dimensions of the crystal used in the diffraction measurements."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_exptl_crystal_face_index_k :_exptl_crystal_face_perp_dist :_exptl_crystal_face_diffr_psi :_exptl_crystal_face_diffr_phi :_exptl_crystal_face_hkl :_exptl_crystal_face_index_h :_exptl_crystal_face_diffr_chi :_exptl_crystal_face_diffr_kappa :_exptl_crystal_face_index_l ) ; core:prefLabel "EXPTL_CRYSTAL_FACE"@en . :FUNCTION a owl:Class ; rdfs:comment """ The crystallographic functions the invoked in the definition methods of CORE STRUCTURE data items defined and used with in the Crystallographic Information Framework (CIF)."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_function_AtomType :_function_SymKey :_function_SymLat :_function_SymEquiv :_function_Symop :_function_SeitzFromJones :_function_Closest ) ; core:prefLabel "FUNCTION"@en . :GEOM a owl:Class ; rdfs:comment """ The CATEGORY of data items used to specify the geometry of the structural model as derived from the atomic sites. The geometry is expressed in terms of the interatomic angles (GEOM_ANGLE data), covalent bond distances (GEOM_BOND data), contact distances (GEOM_CONTACT data), hydrogen bonds (GEOM_HBOND data) and torsion geometry (GEOM_TORSION data). Geometry data are usually redundant, in that they can be calculated from other more fundamental quantities in the data block. However, they serve the dual purposes of providing a check on the correctness of both sets of data and of enabling the most important geometric data to be identified for publication by setting the appropriate publication flag."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_geom_contact_distance_incr :_geom_contact_distance_min :_geom_bond_distance_min :_geom_bond_distance_incr :_geom_special_details ) ; core:prefLabel "GEOM"@en . :GEOM_ANGLE a owl:Class ; rdfs:comment """ The CATEGORY of data items used to specify the geometry angles in the structural model as derived from the atomic sites."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_geom_angle_value_su :_geom_angle_value :_geom_angle_atom_site_label_1 :_geom_angle_publ_flag :_geom_angle_site_symmetry_3 :_geom_angle_distances :_geom_angle_site_symmetry_1 :_geom_angle_atom_site_label_3 :_geom_angle_site_symmetry_2 :_geom_angle_id :_geom_angle_atom_site_label_2 ) ; core:prefLabel "GEOM_ANGLE"@en . :GEOM_BOND a owl:Class ; rdfs:comment """ The CATEGORY of data items used to specify the geometry bonds in the structural model as derived from the atomic sites."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_geom_bond_publ_flag :_geom_bond_distance_su :_geom_bond_distance :_geom_bond_multiplicity :_geom_bond_atom_site_label_2 :_geom_bond_atom_site_label_1 :_geom_bond_id :_geom_bond_site_symmetry_2 :_geom_bond_site_symmetry_1 :_geom_bond_valence ) ; core:prefLabel "GEOM_BOND"@en . :GEOM_CONTACT a owl:Class ; rdfs:comment """ The CATEGORY of data items used to specify the interatomic contact distances in the structural model."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_geom_contact_atom_site_label_1 :_geom_contact_distance_su :_geom_contact_site_symmetry_1 :_geom_contact_distance :_geom_contact_publ_flag :_geom_contact_site_symmetry_2 :_geom_contact_id :_geom_contact_atom_site_label_2 ) ; core:prefLabel "GEOM_CONTACT"@en . :GEOM_HBOND a owl:Class ; rdfs:comment """ The CATEGORY of data items used to specify the hydrogen bond distances in the structural model as derived from atomic sites."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_geom_hbond_site_symmetry_A :_geom_hbond_distance_DH :_geom_hbond_angle_DHA :_geom_hbond_id :_geom_hbond_distance_DH_su :_geom_hbond_atom_site_label_H :_geom_hbond_atom_site_label_A :_geom_hbond_distance_HA_su :_geom_hbond_site_symmetry_D :_geom_hbond_atom_site_label_D :_geom_hbond_distance_DA :_geom_hbond_angle_DHA_su :_geom_hbond_site_symmetry_H :_geom_hbond_distance_DA_su :_geom_hbond_distance_HA :_geom_hbond_publ_flag ) ; core:prefLabel "GEOM_HBOND"@en . :GEOM_TORSION a owl:Class ; rdfs:comment """ The CATEGORY of data items used to specify the torsion angles in the structural model as derived from the atomic sites."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_geom_torsion_site_symmetry_2 :_geom_torsion_publ_flag :_geom_torsion_id :_geom_torsion_angle_su :_geom_torsion_site_symmetry_4 :_geom_torsion_angle :_geom_torsion_atom_site_label_1 :_geom_torsion_site_symmetry_3 :_geom_torsion_atom_site_label_2 :_geom_torsion_atom_site_label_4 :_geom_torsion_site_symmetry_1 :_geom_torsion_distances :_geom_torsion_atom_site_label_3 ) ; core:prefLabel "GEOM_TORSION"@en . :JOURNAL a owl:Class ; rdfs:comment """ Category of items recording details about the book-keeping by the journal staff when processing a CIF submitted for publication. The creator of a CIF will not normally specify these data items. """@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_journal_coden_ASTM :_journal_paper_doi :_journal_suppl_publ_number :_journal_name_full :_journal_validation_number :_journal_coden_Cambridge :_journal_year :_journal_language :_journal_data_validation_number :_journal_suppl_publ_pages :_journal_page_first :_journal_paper_category :_journal_page_last :_journal_issue :_journal_volume ) ; core:prefLabel "JOURNAL"@en . :JOURNAL_COEDITOR a owl:Class ; rdfs:comment """ Category of items recording co-editor details."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_journal_coeditor_name :_journal_coeditor_phone :_journal_coeditor_notes :_journal_coeditor_fax :_journal_coeditor_code :_journal_coeditor_address :_journal_coeditor_email ) ; core:prefLabel "JOURNAL_COEDITOR"@en . :JOURNAL_DATE a owl:Class ; rdfs:comment """ Category of items recording dates of publication processing."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_journal_date_printers_first :_journal_date_recd_electronic :_journal_date_recd_hard_copy :_journal_date_recd_copyright :_journal_date_proofs_in :_journal_date_accepted :_journal_date_printers_final :_journal_date_from_coeditor :_journal_date_proofs_out :_journal_date_to_coeditor ) ; core:prefLabel "JOURNAL_DATE"@en . :JOURNAL_INDEX a owl:Class ; rdfs:comment """ Category of items describing publication indices."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_journal_index_subterm :_journal_index_id :_journal_index_term :_journal_index_type ) ; core:prefLabel "JOURNAL_INDEX"@en . :JOURNAL_TECHEDITOR a owl:Class ; rdfs:comment """ Category of items recording details of the technical editor processing this publication."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_journal_techeditor_email :_journal_techeditor_notes :_journal_techeditor_code :_journal_techeditor_fax :_journal_techeditor_address :_journal_techeditor_name :_journal_techeditor_phone ) ; core:prefLabel "JOURNAL_TECHEDITOR"@en . :MODEL a owl:Class ; rdfs:comment """ Items in the MODEL Category specify data for the crystal structure postulated and modelled from the atomic coordinates derived and refined from the diffraction information. The structural model is described principally in terms of the geometry of the 'connected' atom sites and the crystal symmetry in which they reside."""@en ; rdfs:subClassOf cif_:CATEGORY ; core:prefLabel "MODEL"@en . :MODEL_SITE a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe atomic sites and connections in the proposed atomic model."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_model_site_id :_model_site_adp_eigen_system :_model_site_label :_model_site_type_symbol :_model_site_fract_xyz :_model_site_symop :_model_site_radius_bond :_model_site_Cartn_xyz :_model_site_radius_contact :_model_site_adp_matrix_beta :_model_site_display_colour :_model_site_index :_model_site_mole_index ) ; core:prefLabel "MODEL_SITE"@en . :PUBL a owl:Class ; rdfs:comment """ Data items in the PUBL category are used when submitting a manuscript for publication. They refer either to the paper as a whole, or to specific named elements within a paper (such as the title and abstract, or the Comment and Experimental sections of Acta Crystallographica Section C). The data items in the PUBL_BODY category should be used for the textual content of other submissions. Typically, each journal will supply a list of the specific items it requires in its Notes for Authors."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_publ_contact_letter ) ; core:prefLabel "PUBL"@en . :PUBLICATION a owl:Class ; rdfs:comment """ The DICTIONARY group encompassing the CORE PUBLICATION data items defined and used with in the Crystallographic Information Framework (CIF)."""@en ; rdfs:subClassOf cif_:CATEGORY ; core:prefLabel "PUBLICATION"@en . :PUBL_AUTHOR a owl:Class ; rdfs:comment """ Category of data items recording the author information."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_publ_author_id_audit :_publ_author_name :_publ_author_id_iucr :_publ_author_phone :_publ_author_address :_publ_author_footnote :_publ_author_id_orcid :_publ_author_email :_publ_author_id ) ; core:prefLabel "PUBL_AUTHOR"@en . :PUBL_BODY a owl:Class ; rdfs:comment """ Data items in the PUBL_BODY category permit labelling of different text sections within the body of a submitted paper. Note that these should not be used in a paper which has a standard format with sections tagged by specific data names (such as in Acta Crystallographica Section C). Typically, each journal will supply a list of the specific items it requires in its Notes for Authors."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_publ_body_contents :_publ_body_title :_publ_body_format :_publ_body_label :_publ_body_element ) ; core:prefLabel "PUBL_BODY"@en . :PUBL_CONTACT_AUTHOR a owl:Class ; rdfs:comment """ Category of items describing contact author(s) details."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_publ_contact_author_fax :_publ_contact_author_id_iucr :_publ_contact_author_phone :_publ_contact_author_name :_publ_contact_author_id :_publ_contact_author_email :_publ_contact_author_id_orcid :_publ_contact_author_address ) ; core:prefLabel "PUBL_CONTACT_AUTHOR"@en . :PUBL_MANUSCRIPT a owl:Class ; rdfs:comment """ Category of items describing the publication manuscript."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_publ_manuscript_processed :_publ_manuscript_text :_publ_manuscript_creation ) ; core:prefLabel "PUBL_MANUSCRIPT"@en . :PUBL_MANUSCRIPT_INCL_EXTRA a owl:Class ; rdfs:comment """ Category of data items that allow the authors of a manuscript to submit for publication data names that should be added to the standard request list employed by journal printing software. Although these fields are primarily intended to identify CIF data items that the author wishes to include in a published paper, they can also be used to identify data names created so that non-CIF items can be included in the publication. Note that *.item names MUST be enclosed in single quotes."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_publ_manuscript_incl_extra_info :_publ_manuscript_incl_extra_item :_publ_manuscript_incl_extra_defn ) ; core:prefLabel "PUBL_MANUSCRIPT_INCL_EXTRA"@en . :PUBL_REQUESTED a owl:Class ; rdfs:comment """ CATEGORY of data items that enable the author to make specific requests to the journal office for processing."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_publ_requested_journal :_publ_requested_coeditor_name :_publ_requested_category ) ; core:prefLabel "PUBL_REQUESTED"@en . :PUBL_SECTION a owl:Class ; rdfs:comment """ Manuscript section data if submitted in parts. see also _publ_manuscript.text and _publ_manuscript.processed. The _publ_section.exptl_prep, _publ_section.exptl_refinement and _publ_section.exptl_solution items are preferred for separating the chemical preparation, refinement and structure solution aspects of the experimental description."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_publ_section_keywords :_publ_section_synopsis :_publ_section_exptl_solution :_publ_section_table_legends :_publ_section_introduction :_publ_section_exptl_refinement :_publ_section_experimental :_publ_section_comment :_publ_section_abstract :_publ_section_title_footnote :_publ_section_exptl_prep :_publ_section_related_literature :_publ_section_title :_publ_section_acknowledgements :_publ_section_figure_captions :_publ_section_discussion :_publ_section_references ) ; core:prefLabel "PUBL_SECTION"@en . :REFINE a owl:Class ; rdfs:comment """ The CATEGORY of data items used to specify information about the refinement of the structural model."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_refine_special_details ) ; core:prefLabel "REFINE"@en . :REFINE_DIFF a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the electron density limits in a difference Fourier map after the structure has been refined. The rms value is with respect to the arithmetic mean density, and is derived from summations over each grid point in the asymmetric unit of the cell."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_refine_diff_density_rms :_refine_diff_density_min_su :_refine_diff_density_max_su :_refine_diff_density_rms_su :_refine_diff_density_min :_refine_diff_density_max ) ; core:prefLabel "REFINE_DIFF"@en . :REFINE_LS a owl:Class ; rdfs:comment """ The CATEGORY of data items used to specify information about the refinement of the structural model."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_refine_ls_extinction_expression :_refine_ls_F_calc_formula :_refine_ls_restrained_S_gt :_refine_ls_shift_over_su_max :_refine_ls_number_constraints :_refine_ls_R_I_factor :_refine_ls_d_res_high :_refine_ls_goodness_of_fit_gt :_refine_ls_extinction_method :_refine_ls_extinction_coef_su :_refine_ls_matrix_type :_refine_ls_d_res_low :_refine_ls_hydrogen_treatment :_refine_ls_shift_over_su_max_lt :_refine_ls_weighting_details :_refine_ls_wR_factor_all :_refine_ls_extinction_coef :_refine_ls_goodness_of_fit_ref :_refine_ls_R_factor_all :_refine_ls_structure_factor_coef :_refine_ls_number_restraints :_refine_ls_goodness_of_fit_all_su :_refine_ls_R_factor_gt :_refine_ls_abs_structure_Flack :_refine_ls_goodness_of_fit_gt_su :_refine_ls_goodness_of_fit_all :_refine_ls_abs_structure_details :_refine_ls_wR_factor_ref :_refine_ls_wR_factor_gt :_refine_ls_abs_structure_Flack_su :_refine_ls_R_Fsqd_factor :_refine_ls_number_parameters :_refine_ls_F_calc_details :_refine_ls_restrained_S_all :_refine_ls_abs_structure_Rogers_su :_refine_ls_shift_over_su_mean :_refine_ls_F_calc_precision :_refine_ls_weighting_scheme :_refine_ls_shift_over_su_mean_lt :_refine_ls_number_reflns :_refine_ls_number_reflns_gt :_refine_ls_abs_structure_Rogers ) ; core:prefLabel "REFINE_LS"@en . :REFINE_LS_CLASS a owl:Class ; rdfs:comment """ The CATEGORY of data items used to specify information about the refinement of the structural model."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_refine_ls_class_d_res_low :_refine_ls_class_R_factor_all :_refine_ls_class_code :_refine_ls_class_d_res_high :_refine_ls_class_wR_factor_all :_refine_ls_class_R_factor_gt :_refine_ls_class_R_Fsqd_factor :_refine_ls_class_R_I_factor ) ; core:prefLabel "REFINE_LS_CLASS"@en . :REFLN a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe the reflection data used in the refinement of a crystallographic structure model."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_refln_d_spacing :_refln_F_meas_su :_refln_intensity_meas :_refln_phase_meas :_refln_symmetry_epsilon :_refln_mean_path_length_tbar :_refln_wavelength_id :_refln_wavelength :_refln_refinement_status :_refln_phase_calc :_refln_A_calc :_refln_fom :_refln_B_calc :_refln_index_k :_refln_Lp_factor :_refln_F_squared_calc :_refln_F_squared_meas :_refln_form_factor_table :_refln_symmetry_multiplicity :_refln_index_h :_refln_class_code :_refln_F_complex :_refln_intensity_meas_su :_refln_F_meas :_refln_F_calc :_refln_intensity_calc :_refln_include_status :_refln_B_meas :_refln_hkl :_refln_index_l :_refln_A_meas :_refln_F_squared_meas_su :_refln_scale_group_code :_refln_sin_theta_over_lambda ) ; core:prefLabel "REFLN"@en . :REFLNS a owl:Class ; rdfs:comment """ The CATEGORY of data items used to specify parameters for the complete set of reflections used in the structure refinement process. Note that these parameters are often similar measures to those defined in the DIFFRN categories, but differ in that the parameters refer to the reduced/transformed reflections which have been used to refine the atom site data in the ATOM_SITE category. The DIFFRN definitions refer to the diffraction measurements and the raw reflection data."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_reflns_d_resolution_low :_reflns_Friedel_fraction_max :_reflns_number_gt :_reflns_number_total :_reflns_limit_h_max :_reflns_limit_k_max :_reflns_Friedel_fraction_full :_reflns_limit_l_min :_reflns_limit_h_min :_reflns_apply_dispersion_to_Fcalc :_reflns_limit_max :_reflns_limit_k_min :_reflns_special_details :_reflns_Friedel_coverage :_reflns_d_resolution_high :_reflns_threshold_expression :_reflns_limit_min :_reflns_limit_l_max ) ; core:prefLabel "REFLNS"@en . :REFLNS_CLASS a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the properties of reflections in specific classes of reflections."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_reflns_class_description :_reflns_class_R_I_factor :_reflns_class_d_res_high :_reflns_class_R_Fsqd_factor :_reflns_class_number_gt :_reflns_class_R_factor_all :_reflns_class_wR_factor_all :_reflns_class_code :_reflns_class_d_res_low :_reflns_class_number_total :_reflns_class_R_factor_gt ) ; core:prefLabel "REFLNS_CLASS"@en . :REFLNS_SCALE a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the scales needed to place measured structure factor coefficients on the same absolute scale."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_reflns_scale_meas_F_squared :_reflns_scale_meas_F :_reflns_scale_group_code :_reflns_scale_meas_intensity ) ; core:prefLabel "REFLNS_SCALE"@en . :REFLNS_SHELL a owl:Class ; rdfs:comment """ The CATEGORY of data items which specify the information about reflections divided into shells bounded by d resolution limits."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_reflns_shell_number_measured_gt :_reflns_shell_number_possible :_reflns_shell_Rmerge_I_gt :_reflns_shell_d_res_high :_reflns_shell_number_measured_all :_reflns_shell_Rmerge_I_all :_reflns_shell_Rmerge_F_all :_reflns_shell_percent_possible_all :_reflns_shell_meanI_over_suI_gt :_reflns_shell_d_res_limits :_reflns_shell_number_unique_gt :_reflns_shell_d_res_low :_reflns_shell_Rmerge_F_gt :_reflns_shell_meanI_over_suI_all :_reflns_shell_number_unique_all :_reflns_shell_percent_possible_gt ) ; core:prefLabel "REFLNS_SHELL"@en . :SPACE_GROUP a owl:Class ; rdfs:comment """ The CATEGORY of data items used to specify space group information about the crystal used in the diffraction measurements. Space-group types are identified by their number as listed in International Tables for Crystallography Volume A, or by their Schoenflies symbol. Specific settings of the space groups can be identified by their Hall symbol, by specifying their symmetry operations or generators, or by giving the transformation that relates the specific setting to the reference setting based on International Tables Volume A and stored in this dictionary. The commonly used Hermann-Mauguin symbol determines the space-group type uniquely but several different Hermann-Mauguin symbols may refer to the same space-group type. A Hermann-Mauguin symbol contains information on the choice of the basis, but not on the choice of origin. Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_space_group_name_Schoenflies :_space_group_crystal_system :_space_group_centring_type :_space_group_name_Hall :_space_group_multiplicity :_space_group_IT_coordinate_system_code :_symmetry_cell_setting :_space_group_name_H-M_ref :_space_group_IT_number :_space_group_name_H-M_alt :_space_group_Patterson_name_H-M :_space_group_point_group_H-M :_space_group_Laue_class :_space_group_name_H-M_alt_description :_space_group_name_H-M_full :_space_group_Bravais_type ) ; core:prefLabel "SPACE_GROUP"@en . :SPACE_GROUP_GENERATOR a owl:Class ; rdfs:comment """ The CATEGORY of data items used to list generators for the space group"""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_space_group_generator_xyz :_space_group_generator_key ) ; core:prefLabel "SPACE_GROUP_GENERATOR"@en . :SPACE_GROUP_SYMOP a owl:Class ; rdfs:comment """ The CATEGORY of data items used to describe symmetry equivalent sites in the crystal unit cell."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_space_group_symop_operation_description :_space_group_symop_R :_space_group_symop_id :_space_group_symop_T :_space_group_symop_RT :_space_group_symop_Seitz_matrix :_space_group_symop_operation_xyz ) ; core:prefLabel "SPACE_GROUP_SYMOP"@en . :SPACE_GROUP_WYCKOFF a owl:Class ; rdfs:comment """ Contains information about Wyckoff positions of a space group. Only one site can be given for each special position but the remainder can be generated by applying the symmetry operations stored in _space_group_symop.operation_xyz."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_space_group_Wyckoff_coords_xyz :_space_group_Wyckoff_multiplicity :_space_group_Wyckoff_letter :_space_group_Wyckoff_site_symmetry :_space_group_Wyckoff_id ) ; core:prefLabel "SPACE_GROUP_WYCKOFF"@en . :STRUCTURE a owl:Class ; rdfs:comment """ The DICTIONARY group encompassing the CORE STRUCTURE data items defined and used with in the Crystallographic Information Framework (CIF)."""@en ; rdfs:subClassOf cif_:CATEGORY ; core:prefLabel "STRUCTURE"@en . :Shape3x4RealArray a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onClass :Shape4RealArray ; owl:onProperty cif_:hasSpatialDirectPart ; owl:qualifiedCardinality "3"^^xsd:nonNegativeInteger ], cif_:Array ; core:prefLabel "Shape3x4RealArray"@en . :Shape4RealArray a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onClass cif_:Real ; owl:onProperty cif_:hasSpatialDirectPart ; owl:qualifiedCardinality "4"^^xsd:nonNegativeInteger ], cif_:Array ; core:prefLabel "Shape4RealArray"@en . :Shape4RealMatrix a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onClass cif_:Real ; owl:onProperty cif_:hasSpatialDirectPart ; owl:qualifiedCardinality "4"^^xsd:nonNegativeInteger ], cif_:Matrix ; core:prefLabel "Shape4RealMatrix"@en . :VALENCE a owl:Class ; rdfs:comment """ The CATEGORY of items used to specify bond valence parameters used to calculate bond valences from bond lengths."""@en ; rdfs:subClassOf cif_:CATEGORY ; core:prefLabel "VALENCE"@en . :VALENCE_PARAM a owl:Class ; rdfs:comment """ The CATEGORY of items for listing bond valences."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_valence_param_atom_1_valence :_valence_param_ref_id :_valence_param_B :_valence_param_Ro :_valence_param_atom_2 :_valence_param_details :_valence_param_id :_valence_param_atom_2_valence :_valence_param_atom_1 ) ; core:prefLabel "VALENCE_PARAM"@en . :VALENCE_REF a owl:Class ; rdfs:comment """ The CATEGORY of items for listing valence references."""@en ; rdfs:subClassOf cif_:CATEGORY ; owl:disjointUnionOf ( :_valence_ref_id :_valence_ref_reference ) ; core:prefLabel "VALENCE_REF"@en . :_atom_ROW a owl:Class ; rdfs:subClassOf cif_:ROW ; core:prefLabel "atom_ROW"@en . :_atom_site_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_disorder_group ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_label ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_calc_attached_atom ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_refinement_flags_occupancy ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_U_iso_or_equiv ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_fract_x_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_constraints ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_fract_xyz ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_refinement_flags ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_fract_z_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_B_iso_or_equiv_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_occupancy_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_Cartn_z ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_Cartn_x ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_Cartn_y_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_label_component_0 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_U_equiv_geom_mean_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_disorder_assembly ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_B_equiv_geom_mean ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_site_symmetry_multiplicity ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_type_symbol ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_Wyckoff_symbol ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_refinement_flags_posn ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_U_equiv_geom_mean ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_label_component_6 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_description ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_Cartn_z_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_label_component_5 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_B_iso_or_equiv ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_U_iso_or_equiv_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_label_component_1 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_fract_x ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_fract_z ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_label_component_2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_chemical_conn_number ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_tensor_beta ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_label_component_3 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_adp_type ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_restraints ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_fract_y ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_occupancy ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_calc_flag ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_refinement_flags_adp ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_fract_y_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_attached_hydrogens ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_label_component_4 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_B_equiv_geom_mean_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_Cartn_xyz ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_Cartn_y ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_site_symmetry_order ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_Cartn_x_su ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "atom_site_ROW"@en . :_atom_site_aniso_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_B_11 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_B_13_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_B_11_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_B_23_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_matrix_U ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_label ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_B_13 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_U_13_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_U_33_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_B_12_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_U_22_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_U_33 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_B_33 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_U_11_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_B_22 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_U_11 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_U_23 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_U_12 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_matrix_B ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_B_33_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_U_23_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_U_22 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_B_12 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_B_22_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_U_13 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_B_23 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_ratio ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_type_symbol ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_site_aniso_U_12_su ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "atom_site_aniso_ROW"@en . :_atom_sites_Cartn_transform_axes a owl:Class ; cif_:_name "_atom_sites_Cartn_transform.axes"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "a parallel to x; b in the plane of x & y"@en ; rdfs:comment """ Description of the relative alignment of the crystal cell axes to the Cartesian orthogonal axes as applied in the transformation matrix _atom_sites_Cartn_transform.matrix."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_sites.Cartn_transform_axes"@en, "_atom_sites_Cartn_transform_axes"@en, "atom_sites_Cartn_transform_axes"@en ; core:prefLabel "atom_sites_Cartn_transform.axes"@en . :_atom_sites_Cartn_transform_mat_11 a owl:Class ; cif_:_name "_atom_sites_Cartn_transform.mat_11"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates. The axial alignments of this transformation are described in _atom_sites_Cartn_transform.axes. The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. x' |11 12 13| x | 1 | ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.Cartn_transf_matrix[1][1]"@en, "_atom_sites_Cartn_tran_matrix_11"@en, "atom_sites_Cartn_transform_mat_11"@en ; core:prefLabel "atom_sites_Cartn_transform.mat_11"@en . :_atom_sites_Cartn_transform_mat_12 a owl:Class ; cif_:_name "_atom_sites_Cartn_transform.mat_12"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates. The axial alignments of this transformation are described in _atom_sites_Cartn_transform.axes. The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. x' |11 12 13| x | 1 | ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.Cartn_transf_matrix[1][2]"@en, "_atom_sites_Cartn_tran_matrix_12"@en, "atom_sites_Cartn_transform_mat_12"@en ; core:prefLabel "atom_sites_Cartn_transform.mat_12"@en . :_atom_sites_Cartn_transform_mat_13 a owl:Class ; cif_:_name "_atom_sites_Cartn_transform.mat_13"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates. The axial alignments of this transformation are described in _atom_sites_Cartn_transform.axes. The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. x' |11 12 13| x | 1 | ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.Cartn_transf_matrix[1][3]"@en, "_atom_sites_Cartn_tran_matrix_13"@en, "atom_sites_Cartn_transform_mat_13"@en ; core:prefLabel "atom_sites_Cartn_transform.mat_13"@en . :_atom_sites_Cartn_transform_mat_21 a owl:Class ; cif_:_name "_atom_sites_Cartn_transform.mat_21"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates. The axial alignments of this transformation are described in _atom_sites_Cartn_transform.axes. The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. x' |11 12 13| x | 1 | ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.Cartn_transf_matrix[2][1]"@en, "_atom_sites_Cartn_tran_matrix_21"@en, "atom_sites_Cartn_transform_mat_21"@en ; core:prefLabel "atom_sites_Cartn_transform.mat_21"@en . :_atom_sites_Cartn_transform_mat_22 a owl:Class ; cif_:_name "_atom_sites_Cartn_transform.mat_22"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates. The axial alignments of this transformation are described in _atom_sites_Cartn_transform.axes. The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. x' |11 12 13| x | 1 | ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.Cartn_transf_matrix[2][2]"@en, "_atom_sites_Cartn_tran_matrix_22"@en, "atom_sites_Cartn_transform_mat_22"@en ; core:prefLabel "atom_sites_Cartn_transform.mat_22"@en . :_atom_sites_Cartn_transform_mat_23 a owl:Class ; cif_:_name "_atom_sites_Cartn_transform.mat_23"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates. The axial alignments of this transformation are described in _atom_sites_Cartn_transform.axes. The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. x' |11 12 13| x | 1 | ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.Cartn_transf_matrix[2][3]"@en, "_atom_sites_Cartn_tran_matrix_23"@en, "atom_sites_Cartn_transform_mat_23"@en ; core:prefLabel "atom_sites_Cartn_transform.mat_23"@en . :_atom_sites_Cartn_transform_mat_31 a owl:Class ; cif_:_name "_atom_sites_Cartn_transform.mat_31"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates. The axial alignments of this transformation are described in _atom_sites_Cartn_transform.axes. The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. x' |11 12 13| x | 1 | ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.Cartn_transf_matrix[3][1]"@en, "_atom_sites_Cartn_tran_matrix_31"@en, "atom_sites_Cartn_transform_mat_31"@en ; core:prefLabel "atom_sites_Cartn_transform.mat_31"@en . :_atom_sites_Cartn_transform_mat_32 a owl:Class ; cif_:_name "_atom_sites_Cartn_transform.mat_32"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates. The axial alignments of this transformation are described in _atom_sites_Cartn_transform.axes. The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. x' |11 12 13| x | 1 | ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.Cartn_transf_matrix[3][2]"@en, "_atom_sites_Cartn_tran_matrix_32"@en, "atom_sites_Cartn_transform_mat_32"@en ; core:prefLabel "atom_sites_Cartn_transform.mat_32"@en . :_atom_sites_Cartn_transform_mat_33 a owl:Class ; cif_:_name "_atom_sites_Cartn_transform.mat_33"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates. The axial alignments of this transformation are described in _atom_sites_Cartn_transform.axes. The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. x' |11 12 13| x | 1 | ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.Cartn_transf_matrix[3][3]"@en, "_atom_sites_Cartn_tran_matrix_33"@en, "atom_sites_Cartn_transform_mat_33"@en ; core:prefLabel "atom_sites_Cartn_transform.mat_33"@en . :_atom_sites_Cartn_transform_matrix a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_atom_sites_Cartn_transform.matrix"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates. The axial alignments of this transformation are described in _atom_sites_Cartn_transform.axes. The 3 x 1 translation is defined in _atom_sites_Cartn_transform.vector. x' |11 12 13| x | 1 | ( y' ) Cartesian = |21 22 23| * ( y ) fractional + v| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "atom_sites_Cartn_transform_matrix"@en ; core:prefLabel "atom_sites_Cartn_transform.matrix"@en . :_atom_sites_Cartn_transform_vec_1 a owl:Class ; cif_:_name "_atom_sites_Cartn_transform.vec_1"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates. The axial alignments of this transformation are described in _atom_sites_Cartn_transform.axes. The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. x' |11 12 13| x | 1 | ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.Cartn_transf_vector[1]"@en, "_atom_sites_Cartn_tran_vector_1"@en, "atom_sites_Cartn_transform_vec_1"@en ; core:prefLabel "atom_sites_Cartn_transform.vec_1"@en . :_atom_sites_Cartn_transform_vec_2 a owl:Class ; cif_:_name "_atom_sites_Cartn_transform.vec_2"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates. The axial alignments of this transformation are described in _atom_sites_Cartn_transform.axes. The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. x' |11 12 13| x | 1 | ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.Cartn_transf_vector[2]"@en, "_atom_sites_Cartn_tran_vector_2"@en, "atom_sites_Cartn_transform_vec_2"@en ; core:prefLabel "atom_sites_Cartn_transform.vec_2"@en . :_atom_sites_Cartn_transform_vec_3 a owl:Class ; cif_:_name "_atom_sites_Cartn_transform.vec_3"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Matrix used to transform fractional coordinates in the ATOM_SITE category to Cartesian coordinates. The axial alignments of this transformation are described in _atom_sites_Cartn_transform.axes. The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. x' |11 12 13| x | 1 | ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.Cartn_transf_vector[3]"@en, "_atom_sites_Cartn_tran_vector_3"@en, "atom_sites_Cartn_transform_vec_3"@en ; core:prefLabel "atom_sites_Cartn_transform.vec_3"@en . :_atom_sites_Cartn_transform_vector a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_atom_sites_Cartn_transform.vector"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The 3x1 translation is used with _atom_sites_Cartn_transform.matrix used to transform fractional coordinates to Cartesian coordinates. The axial alignments of this transformation are described in _atom_sites_Cartn_transform.axes."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "atom_sites_Cartn_transform_vector"@en ; core:prefLabel "atom_sites_Cartn_transform.vector"@en . :_atom_sites_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_solution_secondary ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_special_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_solution_primary ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_solution_hydrogens ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "atom_sites_ROW"@en . :_atom_sites_cartn_transform_ROW a owl:Class ; rdfs:subClassOf cif_:ROW ; core:prefLabel "atom_sites_cartn_transform_ROW"@en . :_atom_sites_fract_transform_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_mat_11 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_mat_33 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_mat_12 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_matrix ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_mat_22 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_vec_3 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_axes ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_vec_1 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_mat_31 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_mat_21 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_mat_32 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_mat_13 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_vector ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_vec_2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_sites_fract_transform_mat_23 ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "atom_sites_fract_transform_ROW"@en . :_atom_type_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_description ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_display_colour ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_number_in_cell ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_oxidation_number ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_symbol ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_radius_bond ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_atomic_number ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_key ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_analytical_mass_percent ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_atomic_mass ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_element_symbol ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_radius_contact ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_electron_count ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "atom_type_ROW"@en . :_atom_type_scat_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_symbol ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_Cromer_Mann_b2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_hi_ang_Fox_coeffs ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_hi_ang_Fox_c1 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_hi_ang_Fox_c2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_Cromer_Mann_a4 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_Cromer_Mann_a2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_hi_ang_Fox_c0 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_Cromer_Mann_b3 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_length_neutron ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_dispersion_imag_cu ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_Cromer_Mann_c ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_Cromer_Mann_b4 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_dispersion_imag ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_Cromer_Mann_coeffs ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_dispersion_real_mo ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_dispersion_source ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_Cromer_Mann_a1 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_hi_ang_Fox_c3 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_versus_stol_list ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_Cromer_Mann_a3 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_source ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_dispersion_real ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_Cromer_Mann_b1 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_dispersion ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_dispersion_real_cu ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_atom_type_scat_dispersion_imag_mo ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "atom_type_scat_ROW"@en . :_audit_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_block_doi ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_creation_date ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_update_record ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_block_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_schema ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_creation_method ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "audit_ROW"@en . :_audit_author_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_author_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_author_name ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_author_address ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_author_id_orcid ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "audit_author_ROW"@en . :_audit_author_role_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_author_role_role ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_author_role_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_author_role_special_details ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "audit_author_role_ROW"@en . :_audit_conform_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_conform_dict_location ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_conform_dict_version ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_conform_dict_name ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "audit_conform_ROW"@en . :_audit_contact_author_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_contact_author_address ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_contact_author_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_contact_author_name ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_contact_author_fax ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_contact_author_phone ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_contact_author_email ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "audit_contact_author_ROW"@en . :_audit_link_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_link_block_description ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_link_block_code ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "audit_link_ROW"@en . :_audit_support_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_support_award_number ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_support_award_recipient ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_support_funding_organization ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_support_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_support_funding_organization_doi ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_audit_support_award_type ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "audit_support_ROW"@en . :_cell_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_angle_alpha ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_formula_units_Z ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_length_b_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_length_c ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_length_c_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_angle_alpha_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_orthogonal_matrix ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_length_b_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_length_a ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_convert_Uij_to_betaij ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_convert_Uiso_to_Uij ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_length_c_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_special_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_angle_beta ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_vector_b ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_angle_gamma_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_angle_beta ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_length_b ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_vector_c ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_metric_tensor ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_angle_beta_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_angle_gamma_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_angle_gamma ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_metric_tensor ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_orthogonal_matrix ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_vector_a ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_angle_alpha_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_vector_a ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_volume_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_atomic_mass ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_angle_beta_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_volume ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_length_c ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_vector_b ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_length_a_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_angle_alpha ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_length_a ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_angle_gamma ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_vector_c ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_length_a_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_reciprocal_length_b ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "cell_ROW"@en . :_cell_measurement_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_measurement_wavelength ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_measurement_reflns_used ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_measurement_theta_min ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_measurement_theta_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_measurement_temperature ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_measurement_pressure_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_measurement_radiation ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_measurement_pressure ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_measurement_temperature_su ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "cell_measurement_ROW"@en . :_cell_measurement_refln_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_measurement_refln_hkl ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_measurement_refln_index_l ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_measurement_refln_index_h ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_measurement_refln_theta ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_cell_measurement_refln_index_k ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "cell_measurement_refln_ROW"@en . :_chemical_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_compound_source ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_name_structure_type ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_temperature_sublimation_lt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_temperature_sublimation_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_identifier_inchi_version ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_temperature_sublimation_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_temperature_decomposition ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_name_systematic ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_melting_point ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_temperature_decomposition_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_identifier_inchi ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_enantioexcess_bulk ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_enantioexcess_crystal ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_temperature_decomposition_lt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_identifier_inchi_key ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_melting_point_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_melting_point_lt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_optical_rotation ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_enantioexcess_crystal_technique ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_name_common ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_temperature_sublimation ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_absolute_configuration ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_temperature_decomposition_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_name_mineral ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_enantioexcess_bulk_technique ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_properties_biological ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_properties_physical ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "chemical_ROW"@en . :_chemical_conn_atom_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_conn_atom_NH ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_conn_atom_charge ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_conn_atom_NCA ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_conn_atom_display_y ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_conn_atom_type_symbol ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_conn_atom_number ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_conn_atom_display_x ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "chemical_conn_atom_ROW"@en . :_chemical_conn_bond_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_conn_bond_atom_2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_conn_bond_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_conn_bond_distance ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_conn_bond_type ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_conn_bond_atom_1 ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "chemical_conn_bond_ROW"@en . :_chemical_formula_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_formula_moiety ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_formula_sum ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_formula_weight ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_formula_weight_meas ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_formula_structural ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_formula_iupac ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_chemical_formula_analytical ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "chemical_formula_ROW"@en . :_cif_core_ROW a owl:Class ; rdfs:subClassOf cif_:ROW ; core:prefLabel "cif_core_ROW"@en . :_citation_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_doi ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_journal_issue ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_title ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_country ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_special_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_journal_full ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_database_id_CSD ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_journal_id_CSD ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_page_first ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_year ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_publisher ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_abstract_id_CAS ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_book_id_ISBN ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_book_publisher ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_coordinate_linkage ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_language ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_journal_id_ISSN ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_book_title ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_book_publisher_city ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_journal_volume ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_page_last ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_database_id_Medline ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_journal_abbrev ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_journal_id_ASTM ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_abstract ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "citation_ROW"@en . :_citation_author_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_author_key ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_author_ordinal ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_author_name ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_author_citation_id ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "citation_author_ROW"@en . :_citation_editor_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_editor_ordinal ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_editor_citation_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_editor_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_citation_editor_name ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "citation_editor_ROW"@en . :_computing_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_computing_diffrn_collection ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_computing_structure_solution ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_computing_publication_material ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_computing_structure_refinement ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_computing_molecular_graphics ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_computing_cell_refinement ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_computing_diffrn_reduction ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "computing_ROW"@en . :_database_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_journal_CSD ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_journal_ASTM ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_CSD_history ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_dataset_doi ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "database_ROW"@en . :_database_code_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_code_PDF ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_code_depnum_ccdc_archive ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_code_depnum_ccdc_fiz ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_code_ICSD ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_code_PDB ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_code_depnum_ccdc_journal ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_code_CAS ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_code_NBS ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_code_CSD ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_code_COD ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_code_MDF ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "database_code_ROW"@en . :_database_related_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_related_special_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_related_entry_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_related_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_related_relation ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_database_related_database_id ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "database_related_ROW"@en . :_diffraction_ROW a owl:Class ; rdfs:subClassOf cif_:ROW ; core:prefLabel "diffraction_ROW"@en . :_diffrn_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_ambient_temperature_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_special_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_ambient_temperature_lt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_ambient_pressure_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_ambient_pressure_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_ambient_temperature_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_symmetry_description ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_measured_fraction_theta_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_crystal_treatment ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_ambient_temperature_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_ambient_pressure ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_ambient_pressure_lt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_ambient_temperature ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_ambient_environment ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_crystal_support ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_measured_fraction_theta_full ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_ROW"@en . :_diffrn_attenuator_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_attenuator_scale ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_attenuator_material ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_attenuator_code ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_attenuator_ROW"@en . :_diffrn_detector_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_detector_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_detector_description ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_detector_area_resol_mean ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_detector_make ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_detector_dtime ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_detector_ROW"@en . :_diffrn_measurement_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_measurement_device_class ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_measurement_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_measurement_device_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_measurement_method ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_measurement_specimen_support ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_measurement_device_make ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_measurement_specimen_attachment_type ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_measurement_ROW"@en . :_diffrn_orient_ROW a owl:Class ; rdfs:subClassOf cif_:ROW ; core:prefLabel "diffrn_orient_ROW"@en . :_diffrn_orient_matrix_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_matrix_UB_31 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_matrix_UBIJ ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_matrix_UB_13 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_matrix_UB_11 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_matrix_UB_21 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_matrix_UB_33 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_matrix_UB_12 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_matrix_type ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_matrix_UB_23 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_matrix_UB_32 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_matrix_UB_22 ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_orient_matrix_ROW"@en . :_diffrn_orient_refln_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_refln_index_k ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_refln_angle_phi ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_refln_angle_psi ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_refln_index_l ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_refln_angle_chi ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_refln_index_h ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_refln_hkl ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_refln_angle_kappa ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_refln_angle_theta ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_orient_refln_angle_omega ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_orient_refln_ROW"@en . :_diffrn_radiation_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_probe ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_polarisn_norm ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_filter_edge ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_polarisn_ratio ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_monochromator ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_type ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_xray_symbol ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_inhomogeneity ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_collimation ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_radiation_ROW"@en . :_diffrn_radiation_wavelength_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_wavelength_value ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_wavelength_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_wavelength_wt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_wavelength_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_wavelength_value_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_radiation_wavelength_determination ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_radiation_wavelength_ROW"@en . :_diffrn_refln_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_scan_mode ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_intensity_net ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_scan_rate ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_hkl ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_index_l ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_wavelength_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_angle_chi ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_standard_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_angle_phi ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_counts_peak ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_counts_bg_2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_sin_theta_over_lambda ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_index_k ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_class_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_wavelength ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_angle_kappa ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_elapsed_time ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_index_h ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_detect_slit_vert ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_attenuator_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_angle_psi ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_detect_slit_horiz ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_angle_theta ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_intensity_net_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_scan_time_backgd ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_counts_total ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_scan_mode_backgd ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_scan_width ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_counts_net ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_scale_group_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_angle_omega ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_refln_counts_bg_1 ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_refln_ROW"@en . :_diffrn_reflns_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_av_R_equivalents ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_number ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_Laue_measured_fraction_full ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_limit_l_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_limit_l_min ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_point_measured_fraction_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_limit_k_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_limit_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_limit_h_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_limit_k_min ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_Laue_measured_fraction_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_point_measured_fraction_full ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_av_sunetI_over_netI ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_theta_min ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_resolution_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_limit_h_min ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_resolution_full ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_theta_full ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_limit_min ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_reduction_process ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_theta_max ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_reflns_ROW"@en . :_diffrn_reflns_class_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_class_d_res_low ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_class_d_res_high ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_class_number ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_class_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_class_av_R_eq ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_class_av_suI_over_I ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_class_description ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_reflns_class_ROW"@en . :_diffrn_reflns_transf_matrix_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_transf_matrix_21 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_transf_matrix_TIJ ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_transf_matrix_12 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_transf_matrix_23 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_transf_matrix_32 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_transf_matrix_31 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_transf_matrix_33 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_transf_matrix_13 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_transf_matrix_22 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_reflns_transf_matrix_11 ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_reflns_transf_matrix_ROW"@en . :_diffrn_scale_group_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_scale_group_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_scale_group_I_net ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_scale_group_ROW"@en . :_diffrn_source_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_source_facility ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_source_voltage ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_source_current ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_source_power ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_source_target ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_source_description ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_source_make ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_source_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_source_size ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_source_device ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_source_take_off_angle ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_source_beamline ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_source_ROW"@en . :_diffrn_standard_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_standard_interval_time ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_standard_scale_su_average ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_standard_decay_percent ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_standard_interval_count ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_standard_number ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_standard_ROW"@en . :_diffrn_standard_refln_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_standard_refln_index_k ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_standard_refln_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_standard_refln_hkl ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_standard_refln_index_h ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_diffrn_standard_refln_index_l ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "diffrn_standard_refln_ROW"@en . :_display_ROW a owl:Class ; rdfs:subClassOf cif_:ROW ; core:prefLabel "display_ROW"@en . :_display_colour_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_display_colour_RGB ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_display_colour_blue ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_display_colour_red ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_display_colour_green ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_display_colour_hue ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "display_colour_ROW"@en . :_exptl_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_transmission_factor_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_method_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_method ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_special_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystals_number ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_transmission_factor_min ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "exptl_ROW"@en . :_exptl_absorpt_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_absorpt_coefficient_mu ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_absorpt_correction_T_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_absorpt_correction_T_min ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_absorpt_process_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_absorpt_correction_type ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "exptl_absorpt_ROW"@en . :_exptl_crystal_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_density_meas_temp_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_pressure_history ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_thermal_history ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_size_rad ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_recrystallization_method ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_colour ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_size_length ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_size_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_density_meas_temp ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_description ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_density_meas ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_density_meas_lt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_density_diffrn ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_density_meas_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_density_method ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_density_meas_temp_lt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_size_mid ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_F_000 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_preparation ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_size_min ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_density_meas_temp_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_density_meas_gt ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "exptl_crystal_ROW"@en . :_exptl_crystal_appearance_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_appearance_general ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_appearance_intensity ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_appearance_hue ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "exptl_crystal_appearance_ROW"@en . :_exptl_crystal_face_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_face_index_k ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_face_hkl ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_face_diffr_psi ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_face_perp_dist ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_face_diffr_kappa ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_face_diffr_chi ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_face_index_l ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_face_index_h ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_exptl_crystal_face_diffr_phi ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "exptl_crystal_face_ROW"@en . :_function_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_function_Symop ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_function_Closest ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_function_SymEquiv ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_function_SeitzFromJones ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_function_SymKey ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_function_SymLat ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_function_AtomType ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "function_ROW"@en . :_geom_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_special_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_bond_distance_min ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_contact_distance_incr ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_contact_distance_min ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_bond_distance_incr ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "geom_ROW"@en . :_geom_angle_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_angle_site_symmetry_2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_angle_site_symmetry_3 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_angle_site_symmetry_1 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_angle_atom_site_label_2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_angle_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_angle_atom_site_label_1 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_angle_publ_flag ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_angle_atom_site_label_3 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_angle_value_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_angle_value ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_angle_distances ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "geom_angle_ROW"@en . :_geom_bond_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_bond_atom_site_label_2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_bond_valence ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_bond_site_symmetry_1 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_bond_distance_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_bond_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_bond_site_symmetry_2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_bond_distance ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_bond_publ_flag ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_bond_atom_site_label_1 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_bond_multiplicity ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "geom_bond_ROW"@en . :_geom_contact_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_contact_distance_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_contact_atom_site_label_1 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_contact_distance ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_contact_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_contact_atom_site_label_2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_contact_publ_flag ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_contact_site_symmetry_1 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_contact_site_symmetry_2 ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "geom_contact_ROW"@en . :_geom_hbond_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_atom_site_label_H ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_distance_DA_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_angle_DHA_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_atom_site_label_D ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_distance_HA ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_site_symmetry_D ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_distance_DH ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_site_symmetry_A ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_distance_HA_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_site_symmetry_H ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_atom_site_label_A ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_publ_flag ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_distance_DH_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_angle_DHA ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_hbond_distance_DA ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "geom_hbond_ROW"@en . :_geom_torsion_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_torsion_site_symmetry_4 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_torsion_atom_site_label_3 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_torsion_angle ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_torsion_site_symmetry_1 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_torsion_distances ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_torsion_site_symmetry_2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_torsion_site_symmetry_3 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_torsion_atom_site_label_2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_torsion_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_torsion_atom_site_label_1 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_torsion_atom_site_label_4 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_torsion_angle_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_geom_torsion_publ_flag ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "geom_torsion_ROW"@en . :_journal_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_paper_doi ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_coden_ASTM ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_language ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_data_validation_number ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_suppl_publ_pages ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_page_first ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_issue ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_suppl_publ_number ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_page_last ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_year ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_validation_number ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_volume ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_name_full ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_coden_Cambridge ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_paper_category ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "journal_ROW"@en . :_journal_coeditor_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_coeditor_email ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_coeditor_name ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_coeditor_phone ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_coeditor_fax ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_coeditor_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_coeditor_notes ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_coeditor_address ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "journal_coeditor_ROW"@en . :_journal_date_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_date_printers_first ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_date_printers_final ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_date_to_coeditor ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_date_proofs_in ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_date_proofs_out ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_date_recd_hard_copy ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_date_recd_copyright ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_date_from_coeditor ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_date_accepted ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_date_recd_electronic ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "journal_date_ROW"@en . :_journal_index_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_index_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_index_term ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_index_type ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_index_subterm ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "journal_index_ROW"@en . :_journal_techeditor_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_techeditor_fax ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_techeditor_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_techeditor_name ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_techeditor_phone ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_techeditor_notes ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_techeditor_address ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_journal_techeditor_email ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "journal_techeditor_ROW"@en . :_model_ROW a owl:Class ; rdfs:subClassOf cif_:ROW ; core:prefLabel "model_ROW"@en . :_model_site_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_model_site_Cartn_xyz ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_model_site_index ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_model_site_symop ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_model_site_mole_index ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_model_site_fract_xyz ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_model_site_display_colour ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_model_site_radius_bond ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_model_site_adp_matrix_beta ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_model_site_label ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_model_site_adp_eigen_system ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_model_site_type_symbol ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_model_site_radius_contact ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_model_site_id ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "model_site_ROW"@en . :_publ_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_contact_letter ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "publ_ROW"@en . :_publ_author_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_author_name ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_author_phone ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_author_id_orcid ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_author_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_author_id_audit ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_author_address ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_author_footnote ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_author_email ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_author_id_iucr ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "publ_author_ROW"@en . :_publ_body_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_body_label ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_body_contents ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_body_title ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_body_element ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_body_format ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "publ_body_ROW"@en . :_publ_contact_author_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_contact_author_id_iucr ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_contact_author_name ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_contact_author_address ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_contact_author_id_orcid ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_contact_author_fax ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_contact_author_email ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_contact_author_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_contact_author_phone ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "publ_contact_author_ROW"@en . :_publ_manuscript_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_manuscript_creation ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_manuscript_processed ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_manuscript_text ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "publ_manuscript_ROW"@en . :_publ_manuscript_incl_extra_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_manuscript_incl_extra_item ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_manuscript_incl_extra_info ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_manuscript_incl_extra_defn ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "publ_manuscript_incl_extra_ROW"@en . :_publ_requested_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_requested_journal ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_requested_coeditor_name ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_requested_category ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "publ_requested_ROW"@en . :_publ_section_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_exptl_refinement ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_synopsis ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_abstract ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_title ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_references ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_figure_captions ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_experimental ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_introduction ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_related_literature ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_keywords ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_acknowledgements ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_discussion ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_exptl_prep ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_title_footnote ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_comment ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_exptl_solution ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_publ_section_table_legends ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "publ_section_ROW"@en . :_publication_ROW a owl:Class ; rdfs:subClassOf cif_:ROW ; core:prefLabel "publication_ROW"@en . :_refine_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_special_details ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "refine_ROW"@en . :_refine_diff_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_diff_density_rms ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_diff_density_max_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_diff_density_min ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_diff_density_min_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_diff_density_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_diff_density_rms_su ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "refine_diff_ROW"@en . :_refine_ls_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_number_reflns ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_d_res_high ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_F_calc_precision ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_extinction_coef ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_goodness_of_fit_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_extinction_method ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_shift_over_su_max_lt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_wR_factor_ref ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_extinction_expression ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_goodness_of_fit_gt_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_goodness_of_fit_all_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_F_calc_formula ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_number_parameters ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_abs_structure_Flack_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_R_factor_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_shift_over_su_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_shift_over_su_mean ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_R_factor_all ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_shift_over_su_mean_lt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_weighting_scheme ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_d_res_low ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_number_restraints ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_number_constraints ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_abs_structure_Rogers ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_number_reflns_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_R_Fsqd_factor ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_abs_structure_Flack ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_matrix_type ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_weighting_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_R_I_factor ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_extinction_coef_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_structure_factor_coef ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_abs_structure_Rogers_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_F_calc_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_goodness_of_fit_all ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_restrained_S_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_restrained_S_all ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_hydrogen_treatment ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_abs_structure_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_wR_factor_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_wR_factor_all ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_goodness_of_fit_ref ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "refine_ls_ROW"@en . :_refine_ls_class_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_class_d_res_high ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_class_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_class_R_factor_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_class_d_res_low ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_class_wR_factor_all ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_class_R_factor_all ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_class_R_Fsqd_factor ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refine_ls_class_R_I_factor ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "refine_ls_class_ROW"@en . :_refln_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_refinement_status ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_B_meas ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_intensity_calc ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_include_status ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_symmetry_multiplicity ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_F_squared_calc ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_wavelength_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_F_meas_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_index_l ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_hkl ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_form_factor_table ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_scale_group_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_index_k ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_class_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_d_spacing ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_symmetry_epsilon ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_fom ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_intensity_meas_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_wavelength ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_phase_calc ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_A_meas ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_index_h ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_F_complex ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_Lp_factor ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_F_squared_meas ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_A_calc ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_F_squared_meas_su ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_F_meas ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_intensity_meas ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_F_calc ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_phase_meas ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_B_calc ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_sin_theta_over_lambda ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_refln_mean_path_length_tbar ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "refln_ROW"@en . :_reflns_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_Friedel_coverage ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_limit_min ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_number_total ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_limit_h_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_threshold_expression ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_apply_dispersion_to_Fcalc ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_limit_l_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_Friedel_fraction_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_number_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_limit_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_special_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_limit_h_min ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_d_resolution_high ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_limit_k_max ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_limit_l_min ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_Friedel_fraction_full ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_d_resolution_low ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_limit_k_min ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "reflns_ROW"@en . :_reflns_class_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_class_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_class_d_res_low ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_class_d_res_high ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_class_R_I_factor ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_class_wR_factor_all ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_class_R_factor_all ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_class_R_factor_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_class_number_total ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_class_R_Fsqd_factor ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_class_description ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_class_number_gt ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "reflns_class_ROW"@en . :_reflns_scale_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_scale_group_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_scale_meas_intensity ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_scale_meas_F_squared ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_scale_meas_F ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "reflns_scale_ROW"@en . :_reflns_shell_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_d_res_high ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_number_unique_all ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_percent_possible_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_Rmerge_I_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_percent_possible_all ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_meanI_over_suI_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_d_res_low ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_number_measured_all ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_Rmerge_I_all ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_number_measured_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_number_possible ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_number_unique_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_Rmerge_F_gt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_Rmerge_F_all ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_meanI_over_suI_all ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_reflns_shell_d_res_limits ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "reflns_shell_ROW"@en . :_space_group_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_name_H-M_full ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_name_H-M_ref ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_IT_number ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_multiplicity ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_name_Hall ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_name_H-M_alt_description ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_Laue_class ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_name_Schoenflies ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_IT_coordinate_system_code ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_centring_type ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_crystal_system ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_name_H-M_alt ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_symmetry_cell_setting ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_Bravais_type ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_point_group_H-M ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_Patterson_name_H-M ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "space_group_ROW"@en . :_space_group_Wyckoff_coords_xyz a owl:Class ; cif_:_name "_space_group_Wyckoff.coords_xyz"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "coordinates of Wyckoff site with 2.. symmetry"@en, "x,1/2,0"@en ; rdfs:comment """ Coordinates of one site of a Wyckoff position expressed in terms of its fractional coordinates (x,y,z) in the unit cell. To generate the coordinates of all sites of this Wyckoff position, it is necessary to multiply these coordinates by the symmetry operations stored in _space_group_symop.operation_xyz."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "space_group_Wyckoff_coords_xyz"@en ; core:prefLabel "space_group_Wyckoff.coords_xyz"@en . :_space_group_Wyckoff_id a owl:Class ; cif_:_name "_space_group_Wyckoff.id"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ An arbitrary code that is unique to a particular Wyckoff position."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "space_group_Wyckoff_id"@en ; core:prefLabel "space_group_Wyckoff.id"@en . :_space_group_Wyckoff_letter a owl:Class ; cif_:_name "_space_group_Wyckoff.letter"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The Wyckoff letter associated with this position, as given in International Tables for Crystallography Volume A. The enumeration value '\\a' corresponds to the Greek letter 'alpha' used in International Tables. Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "space_group_Wyckoff_letter"@en ; core:prefLabel "space_group_Wyckoff.letter"@en . :_space_group_Wyckoff_multiplicity a owl:Class ; cif_:_name "_space_group_Wyckoff.multiplicity"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The multiplicity of this Wyckoff position as given in International Tables Volume A. It is the number of equivalent sites per conventional unit cell. Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "space_group_Wyckoff_multiplicity"@en ; core:prefLabel "space_group_Wyckoff.multiplicity"@en . :_space_group_Wyckoff_site_symmetry a owl:Class ; cif_:_name "_space_group_Wyckoff.site_symmetry"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "2.."@en, "2.22"@en, "42.2"@en, """Site symmetry for the Wyckoff position 96f in space group No. 228, F d -3 c. The site-symmetry group is isomorphic to the point group 2 with the twofold axis along one of the {100} directions."""@en, "position 2b in space group No. 94, P 42 21 2"@en, "position 6b in space group No. 222, P n -3 n"@en ; rdfs:comment """ The subgroup of the space group that leaves the point fixed. It is isomorphic to a subgroup of the point group of the space group. The site-symmetry symbol indicates the symmetry in the symmetry direction determined by the Hermann-Mauguin symbol of the space group (see International Tables for Crystallography Volume A, Section 2.2.12). Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "space_group_Wyckoff_site_symmetry"@en ; core:prefLabel "space_group_Wyckoff.site_symmetry"@en . :_space_group_generator_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_generator_xyz ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_generator_key ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "space_group_generator_ROW"@en . :_space_group_symop_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_symop_operation_description ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_symop_T ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_symop_R ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_symop_RT ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_symop_Seitz_matrix ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_symop_operation_xyz ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_space_group_symop_id ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "space_group_symop_ROW"@en . :_space_group_wyckoff_ROW a owl:Class ; rdfs:subClassOf cif_:ROW ; core:prefLabel "space_group_wyckoff_ROW"@en . :_structure_ROW a owl:Class ; rdfs:subClassOf cif_:ROW ; core:prefLabel "structure_ROW"@en . :_valence_ROW a owl:Class ; rdfs:subClassOf cif_:ROW ; core:prefLabel "valence_ROW"@en . :_valence_param_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_valence_param_atom_1_valence ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_valence_param_atom_2 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_valence_param_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_valence_param_atom_2_valence ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_valence_param_ref_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_valence_param_Ro ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_valence_param_details ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_valence_param_atom_1 ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_valence_param_B ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "valence_param_ROW"@en . :_valence_ref_ROW a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_valence_ref_id ; owl:onProperty cif_:hasSpatialDirectPart ], [ a owl:Restriction ; owl:maxQualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :_valence_ref_reference ; owl:onProperty cif_:hasSpatialDirectPart ], cif_:ROW ; core:prefLabel "valence_ref_ROW"@en . cif_:CIF_DATA_BLOCK a owl:Class ; rdfs:comment "A class representing a data block in a CIF file."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom cif_:TABLE ], cif_:CIF ; core:prefLabel "CIF_DATA_BLOCK"@en . cif_:Imag a owl:Class ; rdfs:comment "Floating-point imaginary number."@en ; rdfs:subClassOf cif_:Real ; core:prefLabel "Imag"@en . cif_:hasDateTimeData a owl:DatatypeProperty ; rdfs:range xsd:dateTime ; core:prefLabel "hasDateTimeData"@en . cif_:hasFloatData a owl:DatatypeProperty ; rdfs:range xsd:double ; rdfs:subPropertyOf cif_:hasNumericalData ; core:prefLabel "hasFloatData"@en . cif_:hasIntegerData a owl:DatatypeProperty ; rdfs:range xsd:integer ; rdfs:subPropertyOf cif_:hasNumericalData ; core:prefLabel "hasIntegerData"@en . cif_:hasUriData a owl:DatatypeProperty ; rdfs:range xsd:anyURI ; rdfs:subPropertyOf owl:topDataProperty ; core:prefLabel "hasUriData"@en . :Shape4x4RealMatrix a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onClass :Shape4RealMatrix ; owl:onProperty cif_:hasSpatialDirectPart ; owl:qualifiedCardinality "4"^^xsd:nonNegativeInteger ], cif_:Matrix ; core:prefLabel "Shape4x4RealMatrix"@en . :_atom_site_B_equiv_geom_mean a owl:Class ; cif_:_name "_atom_site.B_equiv_geom_mean"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ Equivalent isotropic atomic displacement parameter, B(equiv), in angstroms squared, calculated as the geometric mean of the anisotropic atomic displacement parameters. B(equiv) = (B~i~ B~j~ B~k~)^1/3^ B~n~ = the principal components of the orthogonalised B^ij^ The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site_B_equiv_geom_mean"@en, "atom_site_B_equiv_geom_mean"@en ; core:prefLabel "atom_site.B_equiv_geom_mean"@en . :_atom_site_B_equiv_geom_mean_su a owl:Class ; cif_:_name "_atom_site.B_equiv_geom_mean_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ Standard uncertainty of the equivalent isotropic atomic displacement parameter, B(equiv), in angstroms squared, calculated as the geometric mean of the anisotropic atomic displacement parameters."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.B_equiv_geom_mean_esd"@en, "_atom_site_B_equiv_geom_mean_su"@en, "atom_site_B_equiv_geom_mean_su"@en ; core:prefLabel "atom_site.B_equiv_geom_mean_su"@en . :_atom_site_B_iso_or_equiv a owl:Class ; cif_:_name "_atom_site.B_iso_or_equiv"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ Isotropic atomic displacement parameter, or equivalent isotropic atomic displacement parameter, B(equiv), in angstroms squared, calculated from anisotropic temperature factor parameters. B(equiv) = (1/3) sum~i~[sum~j~(B^ij^ a*~i~ a*~j~ a~i~ a~j~)] a = the real-space cell lengths a* = the reciprocal-space cell lengths B^ij^ = 8 pi^2^ U^ij^ Ref: Fischer, R. X. & Tillmanns, E. (1988). Acta Cryst. C44, 775-776. The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site_B_iso_or_equiv"@en, "atom_site_B_iso_or_equiv"@en ; core:prefLabel "atom_site.B_iso_or_equiv"@en . :_atom_site_B_iso_or_equiv_su a owl:Class ; cif_:_name "_atom_site.B_iso_or_equiv_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ Standard uncertainty of the isotropic atomic displacement parameter, or equivalent isotropic atomic displacement parameter, B(equiv), in angstroms squared, calculated from anisotropic temperature factor parameters."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.B_iso_or_equiv_esd"@en, "_atom_site_B_iso_or_equiv_su"@en, "atom_site_B_iso_or_equiv_su"@en ; core:prefLabel "atom_site.B_iso_or_equiv_su"@en . :_atom_site_Cartn_x a owl:Class ; cif_:_name "_atom_site.Cartn_x"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The atom site coordinates in angstroms specified according to a set of orthogonal Cartesian axes related to the cell axes as specified by the _atom_sites_Cartn_transform.axes description."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site_Cartn_x"@en, "atom_site_Cartn_x"@en ; core:prefLabel "atom_site.Cartn_x"@en . :_atom_site_Cartn_x_su a owl:Class ; cif_:_name "_atom_site.Cartn_x_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Standard uncertainty values of the atom site coordinates in angstroms specified according to a set of orthogonal Cartesian axes related to the cell axes as specified by the _atom_sites_Cartn_transform.axes description."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.Cartn_x_esd"@en, "_atom_site_Cartn_x_su"@en, "atom_site_Cartn_x_su"@en ; core:prefLabel "atom_site.Cartn_x_su"@en . :_atom_site_Cartn_xyz a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_atom_site.Cartn_xyz"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Vector of Cartesian (orthogonal angstrom) atom site coordinates."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "atom_site_Cartn_xyz"@en ; core:prefLabel "atom_site.Cartn_xyz"@en . :_atom_site_Cartn_y a owl:Class ; cif_:_name "_atom_site.Cartn_y"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The atom site coordinates in angstroms specified according to a set of orthogonal Cartesian axes related to the cell axes as specified by the _atom_sites_Cartn_transform.axes description."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site_Cartn_y"@en, "atom_site_Cartn_y"@en ; core:prefLabel "atom_site.Cartn_y"@en . :_atom_site_Cartn_y_su a owl:Class ; cif_:_name "_atom_site.Cartn_y_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Standard uncertainty values of the atom site coordinates in angstroms specified according to a set of orthogonal Cartesian axes related to the cell axes as specified by the _atom_sites_Cartn_transform.axes description."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.Cartn_y_esd"@en, "_atom_site_Cartn_y_su"@en, "atom_site_Cartn_y_su"@en ; core:prefLabel "atom_site.Cartn_y_su"@en . :_atom_site_Cartn_z a owl:Class ; cif_:_name "_atom_site.Cartn_z"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The atom site coordinates in angstroms specified according to a set of orthogonal Cartesian axes related to the cell axes as specified by the _atom_sites_Cartn_transform.axes description."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site_Cartn_z"@en, "atom_site_Cartn_z"@en ; core:prefLabel "atom_site.Cartn_z"@en . :_atom_site_Cartn_z_su a owl:Class ; cif_:_name "_atom_site.Cartn_z_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Standard uncertainty values of the atom site coordinates in angstroms specified according to a set of orthogonal Cartesian axes related to the cell axes as specified by the _atom_sites_Cartn_transform.axes description."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.Cartn_z_esd"@en, "_atom_site_Cartn_z_su"@en, "atom_site_Cartn_z_su"@en ; core:prefLabel "atom_site.Cartn_z_su"@en . :_atom_site_U_equiv_geom_mean a owl:Class ; cif_:_name "_atom_site.U_equiv_geom_mean"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ Equivalent isotropic atomic displacement parameter, U(equiv), in angstroms squared, calculated as the geometric mean of the anisotropic atomic displacement parameters. U(equiv) = (U~i~ U~j~ U~k~)^1/3^ U~n~ = the principal components of the orthogonalised U^ij^"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site_U_equiv_geom_mean"@en, "atom_site_U_equiv_geom_mean"@en ; core:prefLabel "atom_site.U_equiv_geom_mean"@en . :_atom_site_U_equiv_geom_mean_su a owl:Class ; cif_:_name "_atom_site.U_equiv_geom_mean_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ Standard uncertainty values (esds) of the U(equiv)."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.U_equiv_geom_mean_esd"@en, "_atom_site_U_equiv_geom_mean_su"@en, "atom_site_U_equiv_geom_mean_su"@en ; core:prefLabel "atom_site.U_equiv_geom_mean_su"@en . :_atom_site_U_iso_or_equiv a owl:Class ; cif_:_name "_atom_site.U_iso_or_equiv"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ Isotropic atomic displacement parameter, or equivalent isotropic atomic displacement parameter, U(equiv), in angstroms squared, calculated from anisotropic atomic displacement parameters. U(equiv) = (1/3) sum~i~[sum~j~(U^ij^ a*~i~ a*~j~ a~i~ a~j~)] a = the real-space cell lengths a* = the reciprocal-space cell lengths Ref: Fischer, R. X. & Tillmanns, E. (1988). Acta Cryst. C44, 775-776."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site_U_iso_or_equiv"@en, "atom_site_U_iso_or_equiv"@en ; core:prefLabel "atom_site.U_iso_or_equiv"@en . :_atom_site_U_iso_or_equiv_su a owl:Class ; cif_:_name "_atom_site.U_iso_or_equiv_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ Standard uncertainty values (esds) of the U(iso) or U(equiv)."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.U_iso_or_equiv_esd"@en, "_atom_site_U_iso_or_equiv_su"@en, "atom_site_U_iso_or_equiv_su"@en ; core:prefLabel "atom_site.U_iso_or_equiv_su"@en . :_atom_site_Wyckoff_symbol a owl:Class ; cif_:_name "_atom_site.Wyckoff_symbol"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ The Wyckoff symbol (letter) as listed in the space-group section of International Tables for Crystallography, Vol. A (1987)."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site_Wyckoff_symbol"@en, "atom_site_Wyckoff_symbol"@en ; core:prefLabel "atom_site.Wyckoff_symbol"@en . :_atom_site_adp_type a owl:Class ; cif_:_name "_atom_site.adp_type"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Code for type of atomic displacement parameters used for the site."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_site.thermal_displace_type"@en, "_atom_site_adp_type"@en, "_atom_site_thermal_displace_type"@en, "atom_site_adp_type"@en ; core:prefLabel "atom_site.adp_type"@en . :_atom_site_aniso_B_11 a owl:Class ; cif_:_name "_atom_site_aniso.B_11"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard anisotropic atomic displacement components in angstroms squared which appear in the structure factor term: T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } h = the Miller indices a* = the reciprocal-space cell lengths The unique elements of the real symmetric matrix are entered by row. The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_B[1][1]"@en, "_atom_site_aniso_B_11"@en, "_atom_site_anisotrop.B[1][1]"@en, "atom_site_aniso_B_11"@en ; core:prefLabel "atom_site_aniso.B_11"@en . :_atom_site_aniso_B_11_su a owl:Class ; cif_:_name "_atom_site_aniso.B_11_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard uncertainty values (SU) for the standard form of the Bij anisotropic atomic displacement components (see _aniso_BIJ). Because these values are TYPE measurand, the su values may in practice be auto generated as part of the Bij calculation."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_B[1][1]_esd"@en, "_atom_site_aniso_B_11_su"@en, "_atom_site_anisotrop.B[1][1]_esd"@en, "atom_site_aniso_B_11_su"@en ; core:prefLabel "atom_site_aniso.B_11_su"@en . :_atom_site_aniso_B_12 a owl:Class ; cif_:_name "_atom_site_aniso.B_12"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard anisotropic atomic displacement components in angstroms squared which appear in the structure factor term: T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } h = the Miller indices a* = the reciprocal-space cell lengths The unique elements of the real symmetric matrix are entered by row. The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_B[1][2]"@en, "_atom_site_aniso_B_12"@en, "_atom_site_anisotrop.B[1][2]"@en, "atom_site_aniso_B_12"@en ; core:prefLabel "atom_site_aniso.B_12"@en . :_atom_site_aniso_B_12_su a owl:Class ; cif_:_name "_atom_site_aniso.B_12_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard uncertainty values (SU) for the standard form of the Bij anisotropic atomic displacement components (see _aniso_BIJ). Because these values are TYPE measurand, the su values may in practice be auto generated as part of the Bij calculation."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_B[1][2]_esd"@en, "_atom_site_aniso_B_12_su"@en, "_atom_site_anisotrop.B[1][2]_esd"@en, "atom_site_aniso_B_12_su"@en ; core:prefLabel "atom_site_aniso.B_12_su"@en . :_atom_site_aniso_B_13 a owl:Class ; cif_:_name "_atom_site_aniso.B_13"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard anisotropic atomic displacement components in angstroms squared which appear in the structure factor term: T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } h = the Miller indices a* = the reciprocal-space cell lengths The unique elements of the real symmetric matrix are entered by row. The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_B[1][3]"@en, "_atom_site_aniso_B_13"@en, "_atom_site_anisotrop.B[1][3]"@en, "atom_site_aniso_B_13"@en ; core:prefLabel "atom_site_aniso.B_13"@en . :_atom_site_aniso_B_13_su a owl:Class ; cif_:_name "_atom_site_aniso.B_13_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard uncertainty values (SU) for the standard form of the Bij anisotropic atomic displacement components (see _aniso_BIJ). Because these values are TYPE measurand, the su values may in practice be auto generated as part of the Bij calculation."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_B[1][3]_esd"@en, "_atom_site_aniso_B_13_su"@en, "_atom_site_anisotrop.B[1][3]_esd"@en, "atom_site_aniso_B_13_su"@en ; core:prefLabel "atom_site_aniso.B_13_su"@en . :_atom_site_aniso_B_22 a owl:Class ; cif_:_name "_atom_site_aniso.B_22"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard anisotropic atomic displacement components in angstroms squared which appear in the structure factor term: T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } h = the Miller indices a* = the reciprocal-space cell lengths The unique elements of the real symmetric matrix are entered by row. The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_B[2][2]"@en, "_atom_site_aniso_B_22"@en, "_atom_site_anisotrop.B[2][2]"@en, "atom_site_aniso_B_22"@en ; core:prefLabel "atom_site_aniso.B_22"@en . :_atom_site_aniso_B_22_su a owl:Class ; cif_:_name "_atom_site_aniso.B_22_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard uncertainty values (SU) for the standard form of the Bij anisotropic atomic displacement components (see _aniso_BIJ). Because these values are TYPE measurand, the su values may in practice be auto generated as part of the Bij calculation."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_B[2][2]_esd"@en, "_atom_site_aniso_B_22_su"@en, "_atom_site_anisotrop.B[2][2]_esd"@en, "atom_site_aniso_B_22_su"@en ; core:prefLabel "atom_site_aniso.B_22_su"@en . :_atom_site_aniso_B_23 a owl:Class ; cif_:_name "_atom_site_aniso.B_23"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard anisotropic atomic displacement components in angstroms squared which appear in the structure factor term: T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } h = the Miller indices a* = the reciprocal-space cell lengths The unique elements of the real symmetric matrix are entered by row. The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_B[2][3]"@en, "_atom_site_aniso_B_23"@en, "_atom_site_anisotrop.B[2][3]"@en, "atom_site_aniso_B_23"@en ; core:prefLabel "atom_site_aniso.B_23"@en . :_atom_site_aniso_B_23_su a owl:Class ; cif_:_name "_atom_site_aniso.B_23_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard uncertainty values (SU) for the standard form of the Bij anisotropic atomic displacement components (see _aniso_BIJ). Because these values are TYPE measurand, the su values may in practice be auto generated as part of the Bij calculation."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_B[2][3]_esd"@en, "_atom_site_aniso_B_23_su"@en, "_atom_site_anisotrop.B[2][3]_esd"@en, "atom_site_aniso_B_23_su"@en ; core:prefLabel "atom_site_aniso.B_23_su"@en . :_atom_site_aniso_B_33 a owl:Class ; cif_:_name "_atom_site_aniso.B_33"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard anisotropic atomic displacement components in angstroms squared which appear in the structure factor term: T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } h = the Miller indices a* = the reciprocal-space cell lengths The unique elements of the real symmetric matrix are entered by row. The IUCr Commission on Nomenclature recommends against the use of B for reporting atomic displacement parameters. U, being directly proportional to B, is preferred."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_B[3][3]"@en, "_atom_site_aniso_B_33"@en, "_atom_site_anisotrop.B[3][3]"@en, "atom_site_aniso_B_33"@en ; core:prefLabel "atom_site_aniso.B_33"@en . :_atom_site_aniso_B_33_su a owl:Class ; cif_:_name "_atom_site_aniso.B_33_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard uncertainty values (SU) for the standard form of the Bij anisotropic atomic displacement components (see _aniso_BIJ). Because these values are TYPE measurand, the su values may in practice be auto generated as part of the Bij calculation."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_B[3][3]_esd"@en, "_atom_site_aniso_B_33_su"@en, "_atom_site_anisotrop.B[3][3]_esd"@en, "atom_site_aniso_B_33_su"@en ; core:prefLabel "atom_site_aniso.B_33_su"@en . :_atom_site_aniso_U_11 a owl:Class ; cif_:_name "_atom_site_aniso.U_11"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard anisotropic atomic displacement components in angstroms squared which appear in the structure factor term: T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } h = the Miller indices a* = the reciprocal-space cell lengths The unique elements of the real symmetric matrix are entered by row."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_U[1][1]"@en, "_atom_site_aniso_U_11"@en, "_atom_site_anisotrop.U[1][1]"@en, "atom_site_aniso_U_11"@en ; core:prefLabel "atom_site_aniso.U_11"@en . :_atom_site_aniso_U_11_su a owl:Class ; cif_:_name "_atom_site_aniso.U_11_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard uncertainty values (SU) for the standard form of the Uij anisotropic atomic displacement components (see _aniso_UIJ). Because these values are TYPE measurand, the su values may in practice be auto generated as part of the Uij calculation."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_U[1][1]_esd"@en, "_atom_site_aniso_U_11_su"@en, "_atom_site_anisotrop.U[1][1]_esd"@en, "atom_site_aniso_U_11_su"@en ; core:prefLabel "atom_site_aniso.U_11_su"@en . :_atom_site_aniso_U_12 a owl:Class ; cif_:_name "_atom_site_aniso.U_12"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard anisotropic atomic displacement components in angstroms squared which appear in the structure factor term: T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } h = the Miller indices a* = the reciprocal-space cell lengths The unique elements of the real symmetric matrix are entered by row."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_U[1][2]"@en, "_atom_site_aniso_U_12"@en, "_atom_site_anisotrop.U[1][2]"@en, "atom_site_aniso_U_12"@en ; core:prefLabel "atom_site_aniso.U_12"@en . :_atom_site_aniso_U_12_su a owl:Class ; cif_:_name "_atom_site_aniso.U_12_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard uncertainty values (SU) for the standard form of the Uij anisotropic atomic displacement components (see _aniso_UIJ). Because these values are TYPE measurand, the su values may in practice be auto generated as part of the Uij calculation."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_U[1][2]_esd"@en, "_atom_site_aniso_U_12_su"@en, "_atom_site_anisotrop.U[1][2]_esd"@en, "atom_site_aniso_U_12_su"@en ; core:prefLabel "atom_site_aniso.U_12_su"@en . :_atom_site_aniso_U_13 a owl:Class ; cif_:_name "_atom_site_aniso.U_13"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard anisotropic atomic displacement components in angstroms squared which appear in the structure factor term: T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } h = the Miller indices a* = the reciprocal-space cell lengths The unique elements of the real symmetric matrix are entered by row."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_U[1][3]"@en, "_atom_site_aniso_U_13"@en, "_atom_site_anisotrop.U[1][3]"@en, "atom_site_aniso_U_13"@en ; core:prefLabel "atom_site_aniso.U_13"@en . :_atom_site_aniso_U_13_su a owl:Class ; cif_:_name "_atom_site_aniso.U_13_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard uncertainty values (SU) for the standard form of the Uij anisotropic atomic displacement components (see _aniso_UIJ). Because these values are TYPE measurand, the su values may in practice be auto generated as part of the Uij calculation."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_U[1][3]_esd"@en, "_atom_site_aniso_U_13_su"@en, "_atom_site_anisotrop.U[1][3]_esd"@en, "atom_site_aniso_U_13_su"@en ; core:prefLabel "atom_site_aniso.U_13_su"@en . :_atom_site_aniso_U_22 a owl:Class ; cif_:_name "_atom_site_aniso.U_22"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard anisotropic atomic displacement components in angstroms squared which appear in the structure factor term: T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } h = the Miller indices a* = the reciprocal-space cell lengths The unique elements of the real symmetric matrix are entered by row."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_U[2][2]"@en, "_atom_site_aniso_U_22"@en, "_atom_site_anisotrop.U[2][2]"@en, "atom_site_aniso_U_22"@en ; core:prefLabel "atom_site_aniso.U_22"@en . :_atom_site_aniso_U_22_su a owl:Class ; cif_:_name "_atom_site_aniso.U_22_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard uncertainty values (SU) for the standard form of the Uij anisotropic atomic displacement components (see _aniso_UIJ). Because these values are TYPE measurand, the su values may in practice be auto generated as part of the Uij calculation."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_U[2][2]_esd"@en, "_atom_site_aniso_U_22_su"@en, "_atom_site_anisotrop.U[2][2]_esd"@en, "atom_site_aniso_U_22_su"@en ; core:prefLabel "atom_site_aniso.U_22_su"@en . :_atom_site_aniso_U_23 a owl:Class ; cif_:_name "_atom_site_aniso.U_23"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard anisotropic atomic displacement components in angstroms squared which appear in the structure factor term: T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } h = the Miller indices a* = the reciprocal-space cell lengths The unique elements of the real symmetric matrix are entered by row."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_U[2][3]"@en, "_atom_site_aniso_U_23"@en, "_atom_site_anisotrop.U[2][3]"@en, "atom_site_aniso_U_23"@en ; core:prefLabel "atom_site_aniso.U_23"@en . :_atom_site_aniso_U_23_su a owl:Class ; cif_:_name "_atom_site_aniso.U_23_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard uncertainty values (SU) for the standard form of the Uij anisotropic atomic displacement components (see _aniso_UIJ). Because these values are TYPE measurand, the su values may in practice be auto generated as part of the Uij calculation."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_U[2][3]_esd"@en, "_atom_site_aniso_U_23_su"@en, "_atom_site_anisotrop.U[2][3]_esd"@en, "atom_site_aniso_U_23_su"@en ; core:prefLabel "atom_site_aniso.U_23_su"@en . :_atom_site_aniso_U_33 a owl:Class ; cif_:_name "_atom_site_aniso.U_33"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard anisotropic atomic displacement components in angstroms squared which appear in the structure factor term: T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } h = the Miller indices a* = the reciprocal-space cell lengths The unique elements of the real symmetric matrix are entered by row."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_U[3][3]"@en, "_atom_site_aniso_U_33"@en, "_atom_site_anisotrop.U[3][3]"@en, "atom_site_aniso_U_33"@en ; core:prefLabel "atom_site_aniso.U_33"@en . :_atom_site_aniso_U_33_su a owl:Class ; cif_:_name "_atom_site_aniso.U_33_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_squared"^^xsd:string ; rdfs:comment """ These are the standard uncertainty values (SU) for the standard form of the Uij anisotropic atomic displacement components (see _aniso_UIJ). Because these values are TYPE measurand, the su values may in practice be auto generated as part of the Uij calculation."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_U[3][3]_esd"@en, "_atom_site_aniso_U_33_su"@en, "_atom_site_anisotrop.U[3][3]_esd"@en, "atom_site_aniso_U_33_su"@en ; core:prefLabel "atom_site_aniso.U_33_su"@en . :_atom_site_aniso_label a owl:Class ; cif_:_name "_atom_site_aniso.label"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Anisotropic atomic displacement parameters are usually looped in a separate list. If this is the case, this code must match the _atom_site.label of the associated atom in the atom coordinate list and conform with the same rules described in _atom_site.label."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site_aniso_label"@en, "_atom_site_anisotrop.id"@en, "atom_site_aniso_label"@en ; core:prefLabel "atom_site_aniso.label"@en . :_atom_site_aniso_matrix_B a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_atom_site_aniso.matrix_B"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The symmetric anisotropic atomic displacement matrix B."""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "atom_site_aniso_matrix_B"@en ; core:prefLabel "atom_site_aniso.matrix_B"@en . :_atom_site_aniso_matrix_U a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_atom_site_aniso.matrix_U"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The symmetric anisotropic atomic displacement matrix U."""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "atom_site_aniso_matrix_U"@en ; core:prefLabel "atom_site_aniso.matrix_U"@en . :_atom_site_aniso_ratio a owl:Class ; cif_:_name "_atom_site_aniso.ratio"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Ratio of the maximum to minimum eigenvalues of the atomic displacement (thermal) ellipsoids."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.aniso_ratio"@en, "_atom_site_aniso_ratio"@en, "_atom_site_anisotrop.ratio"@en, "atom_site_aniso_ratio"@en ; core:prefLabel "atom_site_aniso.ratio"@en . :_atom_site_aniso_type_symbol a owl:Class ; cif_:_name "_atom_site_aniso.type_symbol"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ This _atom_type.symbol code links the anisotropic atom parameters to the atom type data associated with this site and must match one of the _atom_type.symbol codes in this list."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site_aniso_type_symbol"@en, "_atom_site_anisotrop.type_symbol"@en, "atom_site_aniso_type_symbol"@en ; core:prefLabel "atom_site_aniso.type_symbol"@en . :_atom_site_attached_hydrogens a owl:Class ; cif_:_name "_atom_site.attached_hydrogens"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; cif_:example "1"@en, "2"@en, "4"@en, "ammonium nitrogen"@en, "hydroxyl oxygen"@en, "water oxygen"@en ; rdfs:comment """ Number of hydrogen atoms attached to the atom at this site excluding any H atoms for which coordinates (measured or calculated) are given."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_atom_site_attached_hydrogens"@en, "atom_site_attached_hydrogens"@en ; core:prefLabel "atom_site.attached_hydrogens"@en . :_atom_site_calc_attached_atom a owl:Class ; cif_:_name "_atom_site.calc_attached_atom"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ The _atom_site.label of the atom site to which the 'geometry- calculated' atom site is attached."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site_calc_attached_atom"@en, "atom_site_calc_attached_atom"@en ; core:prefLabel "atom_site.calc_attached_atom"@en . :_atom_site_calc_flag a owl:Class ; cif_:_name "_atom_site.calc_flag"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ A standard code to signal if the site coordinates have been determined from the intensities or calculated from the geometry of surrounding sites, or have been assigned dummy coordinates."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_site_calc_flag"@en, "atom_site_calc_flag"@en ; core:prefLabel "atom_site.calc_flag"@en . :_atom_site_chemical_conn_number a owl:Class ; cif_:_name "_atom_site.chemical_conn_number"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ This number links an atom site to the chemical connectivity list. It must match a number specified by _chemical_conn_atom.number."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_atom_site_chemical_conn_number"@en, "atom_site_chemical_conn_number"@en ; core:prefLabel "atom_site.chemical_conn_number"@en . :_atom_site_constraints a owl:Class ; cif_:_name "_atom_site.constraints"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "pop=1.0-pop(Zn3)"@en ; rdfs:comment """ A description of the constraints applied to parameters at this site during refinement. See also _atom_site.refinement_flags and _refine_ls.number_constraints."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_site_constraints"@en, "atom_site_constraints"@en ; core:prefLabel "atom_site.constraints"@en . :_atom_site_description a owl:Class ; cif_:_name "_atom_site.description"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "Ag/Si disordered"@en ; rdfs:comment """ A description of special aspects of this site. See also _atom_site.refinement_flags."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_site.details"@en, "_atom_site_description"@en, "atom_site_description"@en ; core:prefLabel "atom_site.description"@en . :_atom_site_disorder_assembly a owl:Class ; cif_:_name "_atom_site.disorder_assembly"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "A"@en, "B"@en, "S"@en, "disordered methyl assembly with groups 1 and 2"@en, "disordered sites independent of symmetry"@en, "disordered sites related by a mirror"@en ; rdfs:comment """ A code which identifies a cluster of atoms that show long range positional disorder but are locally ordered. Within each such cluster of atoms, _atom_site.disorder_group is used to identify the sites that are simultaneously occupied. This field is only needed if there is more than one cluster of disordered atoms showing independent local order."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site_disorder_assembly"@en, "atom_site_disorder_assembly"@en ; core:prefLabel "atom_site.disorder_assembly"@en . :_atom_site_disorder_group a owl:Class ; cif_:_name "_atom_site.disorder_group"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "-1"@en, "1"@en, "2"@en, "symmetry-independent disordered site"@en, "unique disordered site in group 1"@en, "unique disordered site in group 2"@en ; rdfs:comment """ A code that identifies a group of positionally disordered atom sites that are locally simultaneously occupied. Atoms that are positionally disordered over two or more sites (e.g. the H atoms of a methyl group that exists in two orientations) can be assigned to two or more groups. Sites belonging to the same group are simultaneously occupied, but those belonging to different groups are not. A minus prefix (e.g. "-1") is used to indicate sites disordered about a special position."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site_disorder_group"@en, "atom_site_disorder_group"@en ; core:prefLabel "atom_site.disorder_group"@en . :_atom_site_fract_x a owl:Class ; cif_:_name "_atom_site.fract_x"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Atom site coordinates as fractions of the cell length values."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site_fract_x"@en, "atom_site_fract_x"@en ; core:prefLabel "atom_site.fract_x"@en . :_atom_site_fract_x_su a owl:Class ; cif_:_name "_atom_site.fract_x_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Standard uncertainty value of the atom site coordinates as fractions of the cell length values."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.fract_x_esd"@en, "_atom_site_fract_x_su"@en, "atom_site_fract_x_su"@en ; core:prefLabel "atom_site.fract_x_su"@en . :_atom_site_fract_xyz a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_atom_site.fract_xyz"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Vector of atom site coordinates projected onto the crystal unit cell as fractions of the cell lengths."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "atom_site_fract_xyz"@en ; core:prefLabel "atom_site.fract_xyz"@en . :_atom_site_fract_y a owl:Class ; cif_:_name "_atom_site.fract_y"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Atom site coordinates as fractions of the cell length values."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site_fract_y"@en, "atom_site_fract_y"@en ; core:prefLabel "atom_site.fract_y"@en . :_atom_site_fract_y_su a owl:Class ; cif_:_name "_atom_site.fract_y_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Standard uncertainty value of the atom site coordinates as fractions of the cell length values."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.fract_y_esd"@en, "_atom_site_fract_y_su"@en, "atom_site_fract_y_su"@en ; core:prefLabel "atom_site.fract_y_su"@en . :_atom_site_fract_z a owl:Class ; cif_:_name "_atom_site.fract_z"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Atom site coordinates as fractions of the cell length values."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site_fract_z"@en, "atom_site_fract_z"@en ; core:prefLabel "atom_site.fract_z"@en . :_atom_site_fract_z_su a owl:Class ; cif_:_name "_atom_site.fract_z_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Standard uncertainty value of the atom site coordinates as fractions of the cell length values."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.fract_z_esd"@en, "_atom_site_fract_z_su"@en, "atom_site_fract_z_su"@en ; core:prefLabel "atom_site.fract_z_su"@en . :_atom_site_label a owl:Class ; cif_:_name "_atom_site.label"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "C12"@en, "C_a_phe_83_a_0"@en, "Ca3g28"@en, "Fe3+17"@en, "H*251"@en, "Zn_Zn_301_A_0"@en ; rdfs:comment """ This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell. It is made up of components, _atom_site.label_component_0 to *_6, which may be specified as separate data items. Component 0 usually matches one of the specified _atom_type.symbol codes. This is not mandatory if an _atom_site.type_symbol item is included in the atom site list. The _atom_site.type_symbol always takes precedence over an _atom_site.label in the identification of the atom type. The label components 1 to 6 are optional, and normally only components 0 and 1 are used. Note that components 0 and 1 are concatenated, while all other components, if specified, are separated by an underline character. Underline separators are only used if higher-order components exist. If an intermediate component is not used it may be omitted provided the underline separators are inserted. For example the label 'C233__ggg' is acceptable and represents the components C, 233, '', and ggg. Each label may have a different number of components."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site.id"@en, "_atom_site_label"@en, "atom_site_label"@en ; core:prefLabel "atom_site.label"@en . :_atom_site_label_component_0 a owl:Class ; cif_:_name "_atom_site.label_component_0"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Component_0 is normally a code which matches identically with one of the _atom_type.symbol codes. If this is the case then the rules governing the _atom_type.symbol code apply. If, however, the data item _atom_site.type_symbol is also specified in the atom site list, component 0 need not match this symbol or adhere to any of the _atom_type.symbol rules. Component_1 is referred to as the "atom number". When component 0 is the atom type code, it is used to number the sites with the same atom type. This component code must start with at least one digit which is not followed by a + or - sign (to distinguish it from the component 0 rules). Components_2 to 6 contain the identifier, residue, sequence, asymmetry identifier and alternate codes, respectively. These codes may be composed of any characters except an underline."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site_label_component_0"@en, "atom_site_label_component_0"@en ; core:prefLabel "atom_site.label_component_0"@en . :_atom_site_label_component_1 a owl:Class ; cif_:_name "_atom_site.label_component_1"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ See label_component_0 description."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site_label_component_1"@en, "atom_site_label_component_1"@en ; core:prefLabel "atom_site.label_component_1"@en . :_atom_site_label_component_2 a owl:Class ; cif_:_name "_atom_site.label_component_2"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ See label_component_0 description."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site_label_component_2"@en, "atom_site_label_component_2"@en ; core:prefLabel "atom_site.label_component_2"@en . :_atom_site_label_component_3 a owl:Class ; cif_:_name "_atom_site.label_component_3"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ See label_component_0 description."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site_label_component_3"@en, "atom_site_label_component_3"@en ; core:prefLabel "atom_site.label_component_3"@en . :_atom_site_label_component_4 a owl:Class ; cif_:_name "_atom_site.label_component_4"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ See label_component_0 description."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site_label_component_4"@en, "atom_site_label_component_4"@en ; core:prefLabel "atom_site.label_component_4"@en . :_atom_site_label_component_5 a owl:Class ; cif_:_name "_atom_site.label_component_5"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ See label_component_0 description."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site_label_component_5"@en, "atom_site_label_component_5"@en ; core:prefLabel "atom_site.label_component_5"@en . :_atom_site_label_component_6 a owl:Class ; cif_:_name "_atom_site.label_component_6"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ See label_component_0 description."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site_label_component_6"@en, "atom_site_label_component_6"@en ; core:prefLabel "atom_site.label_component_6"@en . :_atom_site_occupancy a owl:Class ; cif_:_name "_atom_site.occupancy"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The fraction of the atom type present at this site. The sum of the occupancies of all the atom types at this site may not significantly exceed 1.0 unless it is a dummy site. The value must lie in the 99.97% Gaussian confidence interval -3u =< x =< 1 + 3u. The _enumeration.range of 0.0:1.0 is thus correctly interpreted as meaning (0.0 - 3u) =< x =< (1.0 + 3u)."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site_occupancy"@en, "atom_site_occupancy"@en ; core:prefLabel "atom_site.occupancy"@en . :_atom_site_occupancy_su a owl:Class ; cif_:_name "_atom_site.occupancy_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Standard uncertainty of the fraction of the atom type present at this site."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_site.occupancy_esd"@en, "_atom_site_occupancy_su"@en, "atom_site_occupancy_su"@en ; core:prefLabel "atom_site.occupancy_su"@en . :_atom_site_refinement_flags a owl:Class ; cif_:_name "_atom_site.refinement_flags"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ A concatenated series of single-letter codes which indicate the refinement restraints or constraints applied to this site. This item should not be used. It has been replaced by _atom_site.refinement_flags_posn, _adp and _occupancy. It is retained in this dictionary only to provide compatibility with legacy CIFs."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_site_refinement_flags"@en, "atom_site_refinement_flags"@en ; core:prefLabel "atom_site.refinement_flags"@en . :_atom_site_refinement_flags_adp a owl:Class ; cif_:_name "_atom_site.refinement_flags_adp"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ A code which indicates the refinement restraints or constraints applied to the atomic displacement parameters of this site."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_site_refinement_flags_adp"@en, "atom_site_refinement_flags_adp"@en ; core:prefLabel "atom_site.refinement_flags_adp"@en . :_atom_site_refinement_flags_occupancy a owl:Class ; cif_:_name "_atom_site.refinement_flags_occupancy"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ A code which indicates the refinement restraints or constraints applied to the occupancy of this site."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_site_refinement_flags_occupancy"@en, "atom_site_refinement_flags_occupancy"@en ; core:prefLabel "atom_site.refinement_flags_occupancy"@en . :_atom_site_refinement_flags_posn a owl:Class ; cif_:_name "_atom_site.refinement_flags_posn"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ A code which indicates the refinement restraints or constraints applied to the positional coordinates of this site."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_site_refinement_flags_posn"@en, "atom_site_refinement_flags_posn"@en ; core:prefLabel "atom_site.refinement_flags_posn"@en . :_atom_site_restraints a owl:Class ; cif_:_name "_atom_site.restraints"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "restrained to planar ring"@en ; rdfs:comment """ A description of restraints applied to specific parameters at this site during refinement. See also _atom_site.refinement_flags and _refine_ls.number_restraints."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_site_restraints"@en, "atom_site_restraints"@en ; core:prefLabel "atom_site.restraints"@en . :_atom_site_site_symmetry_multiplicity a owl:Class ; cif_:_name "_atom_site.site_symmetry_multiplicity"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The number of different sites that are generated by the application of the space-group symmetry to the coordinates given for this site. It is equal to the multiplicity given for this Wyckoff site in International Tables for Cryst. Vol. A (2002). It is equal to the multiplicity of the general position divided by the order of the site symmetry given in _atom_site.site_symmetry_order."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_atom_site.symmetry_multiplicity"@en, "_atom_site_site_symmetry_multiplicity"@en, "_atom_site_symmetry_multiplicity"@en, "atom_site_site_symmetry_multiplicity"@en ; core:prefLabel "atom_site.site_symmetry_multiplicity"@en . :_atom_site_site_symmetry_order a owl:Class ; cif_:_name "_atom_site.site_symmetry_order"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The number of times application of the crystallographic symmetry to the coordinates for this site generates the same coordinates. That is: multiplicity of the general position ------------------------------------ _atom_site.site_symmetry_multiplicity"""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_atom_site_site_symmetry_order"@en, "atom_site_site_symmetry_order"@en ; core:prefLabel "atom_site.site_symmetry_order"@en . :_atom_site_tensor_beta a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_atom_site.tensor_beta"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The symmetric anisotropic atomic displacement tensor beta[I,J] appears in a structure factor expression as: t = exp -[ beta11 h h + ............ 2 beta23 k l ] It is related to the adp matrices U(IJ) and B(IJ) as follows: t = exp -2pi**2 ( U11 h h a* a* + ...... 2 U23 k l b* c* ) t = exp - 0.25 ( B11 h h a* a* + ...... 2 B23 k l b* c* )"""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "atom_site_tensor_beta"@en ; core:prefLabel "atom_site.tensor_beta"@en . :_atom_site_type_symbol a owl:Class ; cif_:_name "_atom_site.type_symbol"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "Cu"@en, "Cu2+"@en, "O1-"@en, "S"@en ; rdfs:comment """ A code to identify the atom specie(s) occupying this site. This code must match a corresponding _atom_type.symbol. The specification of this code is optional if component_0 of the _atom_site.label is used for this purpose. See _atom_type.symbol."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_site_type_symbol"@en, "atom_site_type_symbol"@en ; core:prefLabel "atom_site.type_symbol"@en . :_atom_sites_fract_transform_axes a owl:Class ; cif_:_name "_atom_sites_fract_transform.axes"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "a parallel to x; b in the plane of x & y"@en ; rdfs:comment """ Description of the relative alignment of the crystal cell axes to the Cartesian orthogonal axes as applied in the transformation matrix _atom_sites_fract_transform.matrix."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_sites.fract_transform_axes"@en, "_atom_sites_fract_transform_axes"@en, "atom_sites_fract_transform_axes"@en ; core:prefLabel "atom_sites_fract_transform.axes"@en . :_atom_sites_fract_transform_mat_11 a owl:Class ; cif_:_name "_atom_sites_fract_transform.mat_11"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates. The axial alignments of this transformation are described in _atom_sites_fract_transform.axes. The 3x1 translation is defined in _atom_sites_fract_transform.vector. x' |11 12 13| x | 1 | ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.fract_transf_matrix[1][1]"@en, "_atom_sites_fract_tran_matrix_11"@en, "atom_sites_fract_transform_mat_11"@en ; core:prefLabel "atom_sites_fract_transform.mat_11"@en . :_atom_sites_fract_transform_mat_12 a owl:Class ; cif_:_name "_atom_sites_fract_transform.mat_12"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates. The axial alignments of this transformation are described in _atom_sites_fract_transform.axes. The 3x1 translation is defined in _atom_sites_fract_transform.vector. x' |11 12 13| x | 1 | ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.fract_transf_matrix[1][2]"@en, "_atom_sites_fract_tran_matrix_12"@en, "atom_sites_fract_transform_mat_12"@en ; core:prefLabel "atom_sites_fract_transform.mat_12"@en . :_atom_sites_fract_transform_mat_13 a owl:Class ; cif_:_name "_atom_sites_fract_transform.mat_13"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates. The axial alignments of this transformation are described in _atom_sites_fract_transform.axes. The 3x1 translation is defined in _atom_sites_fract_transform.vector. x' |11 12 13| x | 1 | ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.fract_transf_matrix[1][3]"@en, "_atom_sites_fract_tran_matrix_13"@en, "atom_sites_fract_transform_mat_13"@en ; core:prefLabel "atom_sites_fract_transform.mat_13"@en . :_atom_sites_fract_transform_mat_21 a owl:Class ; cif_:_name "_atom_sites_fract_transform.mat_21"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates. The axial alignments of this transformation are described in _atom_sites_fract_transform.axes. The 3x1 translation is defined in _atom_sites_fract_transform.vector. x' |11 12 13| x | 1 | ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.fract_transf_matrix[2][1]"@en, "_atom_sites_fract_tran_matrix_21"@en, "atom_sites_fract_transform_mat_21"@en ; core:prefLabel "atom_sites_fract_transform.mat_21"@en . :_atom_sites_fract_transform_mat_22 a owl:Class ; cif_:_name "_atom_sites_fract_transform.mat_22"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates. The axial alignments of this transformation are described in _atom_sites_fract_transform.axes. The 3x1 translation is defined in _atom_sites_fract_transform.vector. x' |11 12 13| x | 1 | ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.fract_transf_matrix[2][2]"@en, "_atom_sites_fract_tran_matrix_22"@en, "atom_sites_fract_transform_mat_22"@en ; core:prefLabel "atom_sites_fract_transform.mat_22"@en . :_atom_sites_fract_transform_mat_23 a owl:Class ; cif_:_name "_atom_sites_fract_transform.mat_23"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates. The axial alignments of this transformation are described in _atom_sites_fract_transform.axes. The 3x1 translation is defined in _atom_sites_fract_transform.vector. x' |11 12 13| x | 1 | ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.fract_transf_matrix[2][3]"@en, "_atom_sites_fract_tran_matrix_23"@en, "atom_sites_fract_transform_mat_23"@en ; core:prefLabel "atom_sites_fract_transform.mat_23"@en . :_atom_sites_fract_transform_mat_31 a owl:Class ; cif_:_name "_atom_sites_fract_transform.mat_31"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates. The axial alignments of this transformation are described in _atom_sites_fract_transform.axes. The 3x1 translation is defined in _atom_sites_fract_transform.vector. x' |11 12 13| x | 1 | ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.fract_transf_matrix[3][1]"@en, "_atom_sites_fract_tran_matrix_31"@en, "atom_sites_fract_transform_mat_31"@en ; core:prefLabel "atom_sites_fract_transform.mat_31"@en . :_atom_sites_fract_transform_mat_32 a owl:Class ; cif_:_name "_atom_sites_fract_transform.mat_32"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates. The axial alignments of this transformation are described in _atom_sites_fract_transform.axes. The 3x1 translation is defined in _atom_sites_fract_transform.vector. x' |11 12 13| x | 1 | ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.fract_transf_matrix[3][2]"@en, "_atom_sites_fract_tran_matrix_32"@en, "atom_sites_fract_transform_mat_32"@en ; core:prefLabel "atom_sites_fract_transform.mat_32"@en . :_atom_sites_fract_transform_mat_33 a owl:Class ; cif_:_name "_atom_sites_fract_transform.mat_33"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates. The axial alignments of this transformation are described in _atom_sites_fract_transform.axes. The 3x1 translation is defined in _atom_sites_fract_transform.vector. x' |11 12 13| x | 1 | ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.fract_transf_matrix[3][3]"@en, "_atom_sites_fract_tran_matrix_33"@en, "atom_sites_fract_transform_mat_33"@en ; core:prefLabel "atom_sites_fract_transform.mat_33"@en . :_atom_sites_fract_transform_matrix a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_atom_sites_fract_transform.matrix"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates. The axial alignments of this transformation are described in _atom_sites_fract_transform.axes. The 3 x 1 translation is defined in _atom_sites_fract_transform.vector. x' |11 12 13| x | 1 | ( y' )fractional = mat |21 22 23| * ( y ) Cartesian + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "atom_sites_fract_transform_matrix"@en ; core:prefLabel "atom_sites_fract_transform.matrix"@en . :_atom_sites_fract_transform_vec_1 a owl:Class ; cif_:_name "_atom_sites_fract_transform.vec_1"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates. The axial alignments of this transformation are described in _atom_sites_fract_transform.axes. The 3x1 translation is defined in _atom_sites_fract_transform.vector. x' |11 12 13| x | 1 | ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.fract_transf_vector[1]"@en, "_atom_sites_fract_tran_vector_1"@en, "atom_sites_fract_transform_vec_1"@en ; core:prefLabel "atom_sites_fract_transform.vec_1"@en . :_atom_sites_fract_transform_vec_2 a owl:Class ; cif_:_name "_atom_sites_fract_transform.vec_2"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates. The axial alignments of this transformation are described in _atom_sites_fract_transform.axes. The 3x1 translation is defined in _atom_sites_fract_transform.vector. x' |11 12 13| x | 1 | ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.fract_transf_vector[2]"@en, "_atom_sites_fract_tran_vector_2"@en, "atom_sites_fract_transform_vec_2"@en ; core:prefLabel "atom_sites_fract_transform.vec_2"@en . :_atom_sites_fract_transform_vec_3 a owl:Class ; cif_:_name "_atom_sites_fract_transform.vec_3"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix used to transform Cartesian coordinates in the ATOM_SITE category to fractional coordinates. The axial alignments of this transformation are described in _atom_sites_fract_transform.axes. The 3x1 translation is defined in _atom_sites_fract_transform.vector. x' |11 12 13| x | 1 | ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | z' |31 32 33| z | 3 | The default transformation matrix uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_sites.fract_transf_vector[3]"@en, "_atom_sites_fract_tran_vector_3"@en, "atom_sites_fract_transform_vec_3"@en ; core:prefLabel "atom_sites_fract_transform.vec_3"@en . :_atom_sites_fract_transform_vector a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_atom_sites_fract_transform.vector"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The 3x1 translation is used with _atom_sites_fract_transform.matrix used to transform Cartesian coordinates to fractional coordinates. The axial alignments of this transformation are described in _atom_sites_fract_transform.axes."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "atom_sites_fract_transform_vector"@en ; core:prefLabel "atom_sites_fract_transform.vector"@en . :_atom_sites_solution_hydrogens a owl:Class ; cif_:_name "_atom_sites.solution_hydrogens"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Codes which identify the methods used to locate the initial atom sites. The *_primary code identifies how the first atom sites were determined; the *_secondary code identifies how the remaining non-hydrogen sites were located; and the *_hydrogens code identifies how the hydrogen sites were located. Ref: Sheldrick, G. M., Hauptman, H. A., Weeks, C. M., Miller, R. and Us\\'on, I. (2001). Ab initio phasing. In International Tables for Crystallography, Vol. F. Crystallography of biological macromolecules, edited by M. G. Rossmann and E. Arnold, ch. 16.1. Dordrecht: Kluwer Academic Publishers."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_sites_solution_hydrogens"@en, "atom_sites_solution_hydrogens"@en ; core:prefLabel "atom_sites.solution_hydrogens"@en . :_atom_sites_solution_primary a owl:Class ; cif_:_name "_atom_sites.solution_primary"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Codes which identify the methods used to locate the initial atom sites. The *_primary code identifies how the first atom sites were determined; the *_secondary code identifies how the remaining non-hydrogen sites were located; and the *_hydrogens code identifies how the hydrogen sites were located. Ref: Sheldrick, G. M., Hauptman, H. A., Weeks, C. M., Miller, R. and Us\\'on, I. (2001). Ab initio phasing. In International Tables for Crystallography, Vol. F. Crystallography of biological macromolecules, edited by M. G. Rossmann and E. Arnold, ch. 16.1. Dordrecht: Kluwer Academic Publishers."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_sites_solution_primary"@en, "atom_sites_solution_primary"@en ; core:prefLabel "atom_sites.solution_primary"@en . :_atom_sites_solution_secondary a owl:Class ; cif_:_name "_atom_sites.solution_secondary"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Codes which identify the methods used to locate the initial atom sites. The *_primary code identifies how the first atom sites were determined; the *_secondary code identifies how the remaining non-hydrogen sites were located; and the *_hydrogens code identifies how the hydrogen sites were located. Ref: Sheldrick, G. M., Hauptman, H. A., Weeks, C. M., Miller, R. and Us\\'on, I. (2001). Ab initio phasing. In International Tables for Crystallography, Vol. F. Crystallography of biological macromolecules, edited by M. G. Rossmann and E. Arnold, ch. 16.1. Dordrecht: Kluwer Academic Publishers."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_sites_solution_secondary"@en, "atom_sites_solution_secondary"@en ; core:prefLabel "atom_sites.solution_secondary"@en . :_atom_sites_special_details a owl:Class ; cif_:_name "_atom_sites.special_details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Information about atomic coordinates not coded elsewhere in the CIF."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_sites_special_details"@en, "atom_sites_special_details"@en ; core:prefLabel "atom_sites.special_details"@en . :_atom_type_analytical_mass_percent a owl:Class ; cif_:_name "_atom_type.analytical_mass_percent"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Mass percentage of this atom type derived from chemical analysis."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type.analytical_mass_%"@en, "_atom_type_analytical_mass_%"@en, "atom_type_analytical_mass_percent"@en ; core:prefLabel "atom_type.analytical_mass_percent"@en . :_atom_type_atomic_mass a owl:Class ; cif_:_name "_atom_type.atomic_mass"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "dalton"^^xsd:string ; rdfs:comment """ Mass of this atom type."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "atom_type_atomic_mass"@en ; core:prefLabel "atom_type.atomic_mass"@en . :_atom_type_atomic_number a owl:Class ; cif_:_name "_atom_type.atomic_number"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Atomic number of this atom type."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "atom_type_atomic_number"@en ; core:prefLabel "atom_type.atomic_number"@en . :_atom_type_description a owl:Class ; cif_:_name "_atom_type.description"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "0.34Fe+0.66Ni"@en, "deuterium"@en ; rdfs:comment """ A description of the atom(s) designated by this atom type. In most cases this will be the element name and oxidation state of a single atom species. For disordered or nonstoichiometric structures it will describe a combination of atom species."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_type_description"@en, "atom_type_description"@en ; core:prefLabel "atom_type.description"@en . :_atom_type_display_colour a owl:Class ; cif_:_name "_atom_type.display_colour"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ The display colour assigned to this atom type. Note that the possible colours are enumerated in the display_colour list category of items."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "atom_type_display_colour"@en ; core:prefLabel "atom_type.display_colour"@en . :_atom_type_electron_count a owl:Class ; cif_:_name "_atom_type.electron_count"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Number of electrons in this atom type."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "atom_type_electron_count"@en ; core:prefLabel "atom_type.electron_count"@en . :_atom_type_element_symbol a owl:Class ; cif_:_name "_atom_type.element_symbol"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Element symbol for of this atom type. The default value is extracted from the ion-to-element enumeration_default list using the index value of _atom_type.symbol."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "atom_type_element_symbol"@en ; core:prefLabel "atom_type.element_symbol"@en . :_atom_type_key a owl:Class ; cif_:_name "_atom_type.key"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Value is a unique key to a set of ATOM_TYPE items in a looped list."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "atom_type_key"@en ; core:prefLabel "atom_type.key"@en . :_atom_type_number_in_cell a owl:Class ; cif_:_name "_atom_type.number_in_cell"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Total number of atoms of this atom type in the unit cell."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type_number_in_cell"@en, "atom_type_number_in_cell"@en ; core:prefLabel "atom_type.number_in_cell"@en . :_atom_type_oxidation_number a owl:Class ; cif_:_name "_atom_type.oxidation_number"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Formal oxidation state of this atom type in the structure."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_atom_type_oxidation_number"@en, "atom_type_oxidation_number"@en ; core:prefLabel "atom_type.oxidation_number"@en . :_atom_type_radius_bond a owl:Class ; cif_:_name "_atom_type.radius_bond"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The effective intra-molecular bonding radius of this atom type."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type_radius_bond"@en, "atom_type_radius_bond"@en ; core:prefLabel "atom_type.radius_bond"@en . :_atom_type_radius_contact a owl:Class ; cif_:_name "_atom_type.radius_contact"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The effective inter-molecular bonding radius of this atom type."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type_radius_contact"@en, "atom_type_radius_contact"@en ; core:prefLabel "atom_type.radius_contact"@en . :_atom_type_scat_Cromer_Mann_a1 a owl:Class ; cif_:_name "_atom_type_scat.Cromer_Mann_a1"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type.scat_Cromer_Mann_a1"@en, "_atom_type_scat_Cromer_Mann_a1"@en, "atom_type_scat_Cromer_Mann_a1"@en ; core:prefLabel "atom_type_scat.Cromer_Mann_a1"@en . :_atom_type_scat_Cromer_Mann_a2 a owl:Class ; cif_:_name "_atom_type_scat.Cromer_Mann_a2"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type.scat_Cromer_Mann_a2"@en, "_atom_type_scat_Cromer_Mann_a2"@en, "atom_type_scat_Cromer_Mann_a2"@en ; core:prefLabel "atom_type_scat.Cromer_Mann_a2"@en . :_atom_type_scat_Cromer_Mann_a3 a owl:Class ; cif_:_name "_atom_type_scat.Cromer_Mann_a3"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type.scat_Cromer_Mann_a3"@en, "_atom_type_scat_Cromer_Mann_a3"@en, "atom_type_scat_Cromer_Mann_a3"@en ; core:prefLabel "atom_type_scat.Cromer_Mann_a3"@en . :_atom_type_scat_Cromer_Mann_a4 a owl:Class ; cif_:_name "_atom_type_scat.Cromer_Mann_a4"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type.scat_Cromer_Mann_a4"@en, "_atom_type_scat_Cromer_Mann_a4"@en, "atom_type_scat_Cromer_Mann_a4"@en ; core:prefLabel "atom_type_scat.Cromer_Mann_a4"@en . :_atom_type_scat_Cromer_Mann_b1 a owl:Class ; cif_:_name "_atom_type_scat.Cromer_Mann_b1"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type.scat_Cromer_Mann_b1"@en, "_atom_type_scat_Cromer_Mann_b1"@en, "atom_type_scat_Cromer_Mann_b1"@en ; core:prefLabel "atom_type_scat.Cromer_Mann_b1"@en . :_atom_type_scat_Cromer_Mann_b2 a owl:Class ; cif_:_name "_atom_type_scat.Cromer_Mann_b2"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type.scat_Cromer_Mann_b2"@en, "_atom_type_scat_Cromer_Mann_b2"@en, "atom_type_scat_Cromer_Mann_b2"@en ; core:prefLabel "atom_type_scat.Cromer_Mann_b2"@en . :_atom_type_scat_Cromer_Mann_b3 a owl:Class ; cif_:_name "_atom_type_scat.Cromer_Mann_b3"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type.scat_Cromer_Mann_b3"@en, "_atom_type_scat_Cromer_Mann_b3"@en, "atom_type_scat_Cromer_Mann_b3"@en ; core:prefLabel "atom_type_scat.Cromer_Mann_b3"@en . :_atom_type_scat_Cromer_Mann_b4 a owl:Class ; cif_:_name "_atom_type_scat.Cromer_Mann_b4"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type.scat_Cromer_Mann_b4"@en, "_atom_type_scat_Cromer_Mann_b4"@en, "atom_type_scat_Cromer_Mann_b4"@en ; core:prefLabel "atom_type_scat.Cromer_Mann_b4"@en . :_atom_type_scat_Cromer_Mann_c a owl:Class ; cif_:_name "_atom_type_scat.Cromer_Mann_c"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type.scat_Cromer_Mann_c"@en, "_atom_type_scat_Cromer_Mann_c"@en, "atom_type_scat_Cromer_Mann_c"@en ; core:prefLabel "atom_type_scat.Cromer_Mann_c"@en . :_atom_type_scat_Cromer_Mann_coeffs a owl:Class ; cif_:_dimension "[9]"^^xsd:string ; cif_:_name "_atom_type_scat.Cromer_Mann_coeffs"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of Cromer-Mann coefficients for generating X-ray scattering factors. [ a1, b1, a2, b2, a3, b3, a4, b4, c] Ref: International Tables for Crystallography, Vol. C (1991) Table 6.1.1.4"""@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom cif_:Real ], cif_:List ; core:altLabel "atom_type_scat_Cromer_Mann_coeffs"@en ; core:prefLabel "atom_type_scat.Cromer_Mann_coeffs"@en . :_atom_type_scat_dispersion a owl:Class ; cif_:_name "_atom_type_scat.dispersion"^^xsd:string ; cif_:_type cif_:Complex ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The anomalous dispersion scattering factor in its complex form for this atom type and radiation by _diffrn_radiation_wavelength.value"""@en ; rdfs:subClassOf cif_:Complex ; core:altLabel "atom_type_scat_dispersion"@en ; core:prefLabel "atom_type_scat.dispersion"@en . :_atom_type_scat_dispersion_imag a owl:Class ; cif_:_name "_atom_type_scat.dispersion_imag"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The imaginary component of the anomalous dispersion scattering factors for this atom type and radiation by _diffrn_radiation_wavelength.value"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type.scat_dispersion_imag"@en, "_atom_type_scat_dispersion_imag"@en, "atom_type_scat_dispersion_imag"@en ; core:prefLabel "atom_type_scat.dispersion_imag"@en . :_atom_type_scat_dispersion_imag_cu a owl:Class ; cif_:_name "_atom_type_scat.dispersion_imag_cu"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The imaginary component of the anomalous dispersion scattering factors for this atom type and Cu K alpha radiation"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "atom_type_scat_dispersion_imag_cu"@en ; core:prefLabel "atom_type_scat.dispersion_imag_cu"@en . :_atom_type_scat_dispersion_imag_mo a owl:Class ; cif_:_name "_atom_type_scat.dispersion_imag_mo"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The imaginary component of the anomalous dispersion scattering factors for this atom type and Mo K alpha radiation"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "atom_type_scat_dispersion_imag_mo"@en ; core:prefLabel "atom_type_scat.dispersion_imag_mo"@en . :_atom_type_scat_dispersion_real a owl:Class ; cif_:_name "_atom_type_scat.dispersion_real"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The real component of the anomalous dispersion scattering factors for this atom type and radiation by _diffrn_radiation_wavelength.value"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type.scat_dispersion_real"@en, "_atom_type_scat_dispersion_real"@en, "atom_type_scat_dispersion_real"@en ; core:prefLabel "atom_type_scat.dispersion_real"@en . :_atom_type_scat_dispersion_real_cu a owl:Class ; cif_:_name "_atom_type_scat.dispersion_real_cu"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The real component of the anomalous dispersion scattering factors for this atom type and Cu K alpha radiation"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "atom_type_scat_dispersion_real_cu"@en ; core:prefLabel "atom_type_scat.dispersion_real_cu"@en . :_atom_type_scat_dispersion_real_mo a owl:Class ; cif_:_name "_atom_type_scat.dispersion_real_mo"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The real component of the anomalous dispersion scattering factors for this atom type and Mo K alpha radiation"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "atom_type_scat_dispersion_real_mo"@en ; core:prefLabel "atom_type_scat.dispersion_real_mo"@en . :_atom_type_scat_dispersion_source a owl:Class ; cif_:_name "_atom_type_scat.dispersion_source"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "International Tables Vol. IV Table 2.3.1"@en ; rdfs:comment """ Reference to source of real and imaginary dispersion corrections for scattering factors used for this atom type."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_type.scat_dispersion_source"@en, "_atom_type_scat_dispersion_source"@en, "atom_type_scat_dispersion_source"@en ; core:prefLabel "atom_type_scat.dispersion_source"@en . :_atom_type_scat_hi_ang_Fox_c0 a owl:Class ; cif_:_name "_atom_type_scat.hi_ang_Fox_c0"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items used to define Fox et al. coefficients for generation of high angle (s >2.0) X-ray scattering factors. Ref: International Tables for Crystallography, Vol. C (1991) Table 6.1.1.5"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "atom_type_scat_hi_ang_Fox_c0"@en ; core:prefLabel "atom_type_scat.hi_ang_Fox_c0"@en . :_atom_type_scat_hi_ang_Fox_c1 a owl:Class ; cif_:_name "_atom_type_scat.hi_ang_Fox_c1"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items used to define Fox et al. coefficients for generation of high angle (s >2.0) X-ray scattering factors. Ref: International Tables for Crystallography, Vol. C (1991) Table 6.1.1.5"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "atom_type_scat_hi_ang_Fox_c1"@en ; core:prefLabel "atom_type_scat.hi_ang_Fox_c1"@en . :_atom_type_scat_hi_ang_Fox_c2 a owl:Class ; cif_:_name "_atom_type_scat.hi_ang_Fox_c2"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items used to define Fox et al. coefficients for generation of high angle (s >2.0) X-ray scattering factors. Ref: International Tables for Crystallography, Vol. C (1991) Table 6.1.1.5"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "atom_type_scat_hi_ang_Fox_c2"@en ; core:prefLabel "atom_type_scat.hi_ang_Fox_c2"@en . :_atom_type_scat_hi_ang_Fox_c3 a owl:Class ; cif_:_name "_atom_type_scat.hi_ang_Fox_c3"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items used to define Fox et al. coefficients for generation of high angle (s >2.0) X-ray scattering factors. Ref: International Tables for Crystallography, Vol. C (1991) Table 6.1.1.5"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "atom_type_scat_hi_ang_Fox_c3"@en ; core:prefLabel "atom_type_scat.hi_ang_Fox_c3"@en . :_atom_type_scat_hi_ang_Fox_coeffs a owl:Class ; cif_:_dimension "[4]"^^xsd:string ; cif_:_name "_atom_type_scat.hi_ang_Fox_coeffs"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of Fox et al. coefficients for generating high angle X-ray scattering factors. [ c0, c1, c2, c3 ] Ref: International Tables for Crystallography, Vol. C (1991) Table 6.1.1.5"""@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom cif_:Real ], cif_:List ; core:altLabel "atom_type_scat_hi_ang_Fox_coeffs"@en ; core:prefLabel "atom_type_scat.hi_ang_Fox_coeffs"@en . :_atom_type_scat_length_neutron a owl:Class ; cif_:_name "_atom_type_scat.length_neutron"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "femtometres"^^xsd:string ; rdfs:comment """ The bound coherent scattering length for the atom type at the isotopic composition used for the diffraction experiment."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type.scat_length_neutron"@en, "_atom_type_scat_length_neutron"@en, "atom_type_scat_length_neutron"@en ; core:prefLabel "atom_type_scat.length_neutron"@en . :_atom_type_scat_source a owl:Class ; cif_:_name "_atom_type_scat.source"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "International Tables Vol. IV Table 2.4.6B"@en ; rdfs:comment """ Reference to source of scattering factors used for this atom type."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_atom_type.scat_source"@en, "_atom_type_scat_source"@en, "atom_type_scat_source"@en ; core:prefLabel "atom_type_scat.source"@en . :_atom_type_scat_symbol a owl:Class ; cif_:_name "_atom_type_scat.symbol"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ The identity of the atom specie(s) representing this atom type. See _atom_type.symbol for further details."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_type_scat_symbol"@en, "atom_type_scat_symbol"@en ; core:prefLabel "atom_type_scat.symbol"@en . :_atom_type_scat_versus_stol_list a owl:Class ; cif_:_dimension "[]"^^xsd:string ; cif_:_name "_atom_type_scat.versus_stol_list"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ List of scattering factors as a function of sin theta on lambda. List has the form [[ ] [ ] ....] in increments of 0.01, increasing from 0.0."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_atom_type.scat_versus_stol_list"@en, "_atom_type_scat_versus_stol_list"@en, "atom_type_scat_versus_stol_list"@en ; core:prefLabel "atom_type_scat.versus_stol_list"@en . :_atom_type_symbol a owl:Class ; cif_:_name "_atom_type.symbol"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "Cu2+"@en, "FeNi"@en, "Mg"@en, "dummy"@en ; rdfs:comment """ The identity of the atom specie(s) representing this atom type. Normally this code is the element symbol followed by the charge if there is one. The symbol may be composed of any character except an underline or a blank, with the proviso that digits designate an oxidation state and must be followed by a + or - character."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_atom_type_symbol"@en, "atom_type_symbol"@en ; core:prefLabel "atom_type.symbol"@en . :_audit_author_address a owl:Class ; cif_:_name "_audit_author.address"^^xsd:string ; cif_:_type cif_:Text ; cif_:example """Department Institute Street City and postcode COUNTRY"""@en ; rdfs:comment """ The address of an author of this data block. If there are multiple authors, _audit_author.address is looped with _audit_author.name."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_audit_author_address"@en, "audit_author_address"@en ; core:prefLabel "audit_author.address"@en . :_audit_author_id a owl:Class ; cif_:_name "_audit_author.id"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Arbitrary identifier for this author"""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "audit_author_id"@en ; core:prefLabel "audit_author.id"@en . :_audit_author_id_orcid a owl:Class ; cif_:_name "_audit_author.id_orcid"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "-"@en, "0"@en, "1"@en, "2"@en, "3"@en, "9"@en ; rdfs:comment """Identifier in the ORCID Registry of a publication author. ORCID is an open, non-profit, community-driven service to provide a registry of unique researcher identifiers (http://orcid.org)."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "audit_author_id_orcid"@en ; core:prefLabel "audit_author.id_orcid"@en . :_audit_author_name a owl:Class ; cif_:_name "_audit_author.name"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "Bleary, Percival R."@en, "M\\\"uller, H.A."@en, "O'Neil, F.K."@en, "Ross II, C.R."@en, "Simonov, Yu.A."@en, "Van den Bossche, G."@en, "Yang, D.-L."@en ; rdfs:comment """ The name of an author of this data block. If there are multiple authors, _audit_author.name is looped with _audit_author.address. The family name(s), followed by a comma and including any dynastic components, precedes the first name(s) or initial(s). """@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_audit_author_name"@en, "audit_author_name"@en ; core:prefLabel "audit_author.name"@en . :_audit_author_role_id a owl:Class ; cif_:_name "_audit_author_role.id"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Unique identifier for the author for whom a role is identified. This may be repeated where an author took on multiple roles. The identifier for the author is drawn from the list of authors given in the audit_author category."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "audit_author_role_id"@en ; core:prefLabel "audit_author_role.id"@en . :_audit_author_role_role a owl:Class ; cif_:_name "_audit_author_role.role"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The role taken by the author identified by _audit_author_role.id, drawn from a predefined list. Additional details can be provided in _audit_author_role.special_details"""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "audit_author_role_role"@en ; core:prefLabel "audit_author_role.role"@en . :_audit_author_role_special_details a owl:Class ; cif_:_name "_audit_author_role.special_details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Description of the contribution of the author identified by _audit_author_role.id."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "audit_author_role_special_details"@en ; core:prefLabel "audit_author_role.special_details"@en . :_audit_block_code a owl:Class ; cif_:_name "_audit.block_code"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "TOZ_1991-03-20"@en ; rdfs:comment """ A unique block code identifier for each revision."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_audit.revision_id"@en, "_audit_block_code"@en, "audit_block_code"@en ; core:prefLabel "audit.block_code"@en . :_audit_block_doi a owl:Class ; cif_:_name "_audit.block_doi"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "."@en, "/"@en, "0"@en, "1"@en, "5"@en, "6"@en, "7"@en, "9"@en, "C"@en, "D"@en, "Q"@en, "V"@en ; rdfs:comment """The digital object identifier (DOI) registered to identify the data set publication represented by the current datablock. This can be used as a unique identifier for the datablock so long as the code used is a valid DOI (i.e. begins with a valid publisher prefix assigned by a Registration Agency and a suffix guaranteed to be unique by the publisher) and has had its metadata deposited with a DOI Registration Agency. A DOI is a unique character string identifying any object of intellectual property. It provides a persistent identifier for an object on a digital network and permits the association of related current data in a structured extensible way. A DOI is an implementation of the Internet concepts of Uniform Resource Name and Universal Resource Locator managed according to the specifications of the International DOI Foundation (see http://www.doi.org)."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_"@en, "a"@en, "audit_block_doi"@en, "b"@en, "c"@en, "d"@en, "i"@en, "k"@en, "l"@en, "o"@en, "t"@en, "u"@en ; core:prefLabel "audit.block_doi"@en . :_audit_conform_dict_location a owl:Class ; cif_:_name "_audit_conform.dict_location"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ File name or uniform resource locator (URL) where the conformant data dictionary resides."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_audit_conform_dict_location"@en, "audit_conform_dict_location"@en ; core:prefLabel "audit_conform.dict_location"@en . :_audit_conform_dict_name a owl:Class ; cif_:_name "_audit_conform.dict_name"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Name identifying highest-level data dictionary defining data names used in this file."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_audit_conform_dict_name"@en, "audit_conform_dict_name"@en ; core:prefLabel "audit_conform.dict_name"@en . :_audit_conform_dict_version a owl:Class ; cif_:_name "_audit_conform.dict_version"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code for the version of data dictionary defining data names used in this file."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_audit_conform_dict_version"@en, "audit_conform_dict_version"@en ; core:prefLabel "audit_conform.dict_version"@en . :_audit_contact_author_address a owl:Class ; cif_:_name "_audit_contact_author.address"^^xsd:string ; cif_:_type cif_:Text ; cif_:example """Department Institute Street City and postcode COUNTRY"""@en ; rdfs:comment """ The mailing address of the author of the data block to whom correspondence should be addressed."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_audit_contact_author_address"@en, "audit_contact_author_address"@en ; core:prefLabel "audit_contact_author.address"@en . :_audit_contact_author_email a owl:Class ; cif_:_name "_audit_contact_author.email"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "bm@iucr.org"@en, "name@host.domain.country"@en ; rdfs:comment """ The electronic mail address of the author of the data block to whom correspondence should be addressed, in a form recognizable to international networks. The format of e-mail addresses is given in Section 3.4, Address Specification, of Internet Message Format, RFC 2822, P. Resnick (Editor), Network Standards Group, April 2001."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_audit_contact_author_email"@en, "audit_contact_author_email"@en ; core:prefLabel "audit_contact_author.email"@en . :_audit_contact_author_fax a owl:Class ; cif_:_name "_audit_contact_author.fax"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "12()349477334"@en, "12(34)9477334"@en ; rdfs:comment """ Facsimile telephone number of the author submitting the manuscript and data block. The recommended style is the international dialing prefix, followed by the area code in parentheses, followed by the local number with no spaces. The earlier convention of including the international dialing prefix in parentheses is no longer recommended."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_audit_contact_author_fax"@en, "audit_contact_author_fax"@en ; core:prefLabel "audit_contact_author.fax"@en . :_audit_contact_author_id a owl:Class ; cif_:_name "_audit_contact_author.id"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Arbitrary identifier for this author"""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "audit_contact_author_id"@en ; core:prefLabel "audit_contact_author.id"@en . :_audit_contact_author_name a owl:Class ; cif_:_name "_audit_contact_author.name"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "Bleary, Percival R."@en, "O'Neil, F.K."@en, "Van den Bossche, G."@en ; rdfs:comment """ The name of the author of the data block to whom correspondence should be addressed. The family name(s), followed by a comma and including any dynastic components, precedes the first name(s) or initial(s)."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_audit_contact_author"@en, "_audit_contact_author_name"@en, "audit_contact_author_name"@en ; core:prefLabel "audit_contact_author.name"@en . :_audit_contact_author_phone a owl:Class ; cif_:_name "_audit_contact_author.phone"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "12()349477330"@en, "12(34)9477330"@en, "12(34)9477330x5543"@en ; rdfs:comment """ Telephone number of author submitting the manuscript and data block. The recommended style is the international dialing prefix, followed by the area code in parentheses, followed by the local number and any extension number prefixed by 'x', with no spaces. The earlier convention of including the international dialing prefix in parentheses is no longer recommended."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_audit_contact_author_phone"@en, "audit_contact_author_phone"@en ; core:prefLabel "audit_contact_author.phone"@en . :_audit_creation_date a owl:Class ; cif_:_name "_audit.creation_date"^^xsd:string ; cif_:_type cif_:Datetime ; cif_:example "1991-03-20"@en, "2019-03-26T10:33:06Z"@en, "2019-03-26T18:33:06.42-08:00"@en ; rdfs:comment """ The timestamp of the data revision."""@en ; rdfs:subClassOf cif_:Datetime ; core:altLabel "_audit_creation_date"@en, "audit_creation_date"@en ; core:prefLabel "audit.creation_date"@en . :_audit_creation_method a owl:Class ; cif_:_name "_audit.creation_method"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "spawned by the program QBEE"@en ; rdfs:comment """ A description of how the revision was applied to the data."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_audit_creation_method"@en, "audit_creation_method"@en ; core:prefLabel "audit.creation_method"@en . :_audit_link_block_code a owl:Class ; cif_:_name "_audit_link.block_code"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ The value of _audit.block_code associated with a data block in the current file related to the current data block. The special value '.' may be used to refer to the current data block for completeness."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_audit_link_block_code"@en, "audit_link_block_code"@en ; core:prefLabel "audit_link.block_code"@en . :_audit_link_block_description a owl:Class ; cif_:_name "_audit_link.block_description"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Description of the relationship of the referenced data block to the current one."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_audit_link_block_description"@en, "audit_link_block_description"@en ; core:prefLabel "audit_link.block_description"@en . :_audit_schema a owl:Class ; cif_:_name "_audit.schema"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ This dataname identifies the type of information contained in the datablock. Software written for one schema will not, in general, correctly interpret datafiles written against a different schema. Specifically, each value of _audit.schema corresponds to a list of categories that were (potentially implicitly) restricted to a single packet in the default Base schema, but which can contain multiple packets in the specified schema. All categories containing child keys of the listed categories may also contain multiple packets and do not need to be listed. The category list for each schema may instead be determined from examination of the dictionaries that this datablock conforms to (see _audit_conform.dict_name). """@en ; rdfs:subClassOf cif_:Text ; core:altLabel "audit_schema"@en ; core:prefLabel "audit.schema"@en . :_audit_support_award_number a owl:Class ; cif_:_name "_audit_support.award_number"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "-"@en, "0"@en, "1"@en, "4"@en, "5"@en, "9"@en, "A"@en, "F"@en ; rdfs:comment """ The award number associated with this source of support."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "audit_support_award_number"@en ; core:prefLabel "audit_support.award_number"@en . :_audit_support_award_recipient a owl:Class ; cif_:_name "_audit_support.award_recipient"^^xsd:string ; cif_:_type cif_:Text ; cif_:example ""@en, "C"@en, "U"@en, "a"@en, "d"@en, "e"@en, "f"@en, "i"@en, "n"@en, "r"@en, "s"@en, "t"@en, "v"@en, "y"@en ; rdfs:comment """ The recipient of the support. May be an individual or institution."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "audit_support_award_recipient"@en ; core:prefLabel "audit_support.award_recipient"@en . :_audit_support_award_type a owl:Class ; cif_:_name "_audit_support.award_type"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Type or kind of award."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "audit_support_award_type"@en ; core:prefLabel "audit_support.award_type"@en . :_audit_support_funding_organization a owl:Class ; cif_:_name "_audit_support.funding_organization"^^xsd:string ; cif_:_type cif_:Text ; cif_:example ""@en, "A"@en, "C"@en, "M"@en, "N"@en, "a"@en, "c"@en, "d"@en, "e"@en, "f"@en, "i"@en, "l"@en, "m"@en, "n"@en, "o"@en, "p"@en, "r"@en, "t"@en, "v"@en, "y"@en ; rdfs:comment """ The name of the organization providing funding support for the data collected and analysed in the data block. The recommended source for such names is the Open Funder Registry (https://github.com/CrossRef/open-funder-registry)"""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "audit_support_funding_organization"@en ; core:prefLabel "audit_support.funding_organization"@en . :_audit_support_funding_organization_doi a owl:Class ; cif_:_name "_audit_support.funding_organization_doi"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "."@en, "/"@en, "0"@en, "1"@en, "3"@en, "4"@en, "6"@en, "9"@en, ":"@en, "d"@en, "g"@en, "h"@en, "i"@en, "o"@en, "p"@en, "r"@en, "s"@en, "t"@en ; rdfs:comment """ The Digital Object Identifier (DOI) associated with the Organization providing funding support for the data collected and analysed in the data block. In accordance with CrossRef guidelines, the full URI of the resolved page describing the funding organization should be given (i.e. including the https://doi.org/ component)."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "audit_support_funding_organization_doi"@en ; core:prefLabel "audit_support.funding_organization_doi"@en . :_audit_support_id a owl:Class ; cif_:_name "_audit_support.id"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ An arbitrary unique identifier for each source of support for the data collected and analysed in the data block."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "audit_support_id"@en ; core:prefLabel "audit_support.id"@en . :_audit_update_record a owl:Class ; cif_:_name "_audit.update_record"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "1990-07-15 Updated by Co-editor"@en ; rdfs:comment """ A description of the revision applied to the data."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_audit_update_record"@en, "audit_update_record"@en ; core:prefLabel "audit.update_record"@en . :_cell_angle_alpha a owl:Class ; cif_:_name "_cell.angle_alpha"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ The angle between the bounding cell axes."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_angle_alpha"@en, "cell_angle_alpha"@en ; core:prefLabel "cell.angle_alpha"@en . :_cell_angle_alpha_su a owl:Class ; cif_:_name "_cell.angle_alpha_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Standard uncertainty of the angle between the bounding cell axes."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell.angle_alpha_esd"@en, "_cell_angle_alpha_su"@en, "cell_angle_alpha_su"@en ; core:prefLabel "cell.angle_alpha_su"@en . :_cell_angle_beta a owl:Class ; cif_:_name "_cell.angle_beta"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ The angle between the bounding cell axes."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_angle_beta"@en, "cell_angle_beta"@en ; core:prefLabel "cell.angle_beta"@en . :_cell_angle_beta_su a owl:Class ; cif_:_name "_cell.angle_beta_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Standard uncertainty of the angle between the bounding cell axes."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell.angle_beta_esd"@en, "_cell_angle.beta_su"@en, "_cell_angle_beta_su"@en, "cell_angle_beta_su"@en ; core:prefLabel "cell.angle_beta_su"@en . :_cell_angle_gamma a owl:Class ; cif_:_name "_cell.angle_gamma"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ The angle between the bounding cell axes."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_angle_gamma"@en, "cell_angle_gamma"@en ; core:prefLabel "cell.angle_gamma"@en . :_cell_angle_gamma_su a owl:Class ; cif_:_name "_cell.angle_gamma_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Standard uncertainty of the angle between the bounding cell axes."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell.angle_gamma_esd"@en, "_cell_angle.gamma_su"@en, "_cell_angle_gamma_su"@en, "cell_angle_gamma_su"@en ; core:prefLabel "cell.angle_gamma_su"@en . :_cell_atomic_mass a owl:Class ; cif_:_name "_cell.atomic_mass"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "dalton"^^xsd:string ; rdfs:comment """ Atomic mass of the contents of the unit cell. This calculated from the atom sites present in the ATOM_TYPE list, rather than the ATOM_SITE lists of atoms in the refined model."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "cell_atomic_mass"@en ; core:prefLabel "cell.atomic_mass"@en . :_cell_convert_Uij_to_betaij a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_cell.convert_Uij_to_betaij"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The reciprocal space matrix for converting the U(ij) matrix of atomic displacement parameters to a dimensionless beta(IJ) matrix. The adp factor in a structure factor expression: t = exp -2pi**2 ( U11 h h a* a* + ...... 2 U23 k l b* c* ) t = exp - 0.25 ( B11 h h a* a* + ...... 2 B23 k l b* c* ) = exp - ( beta11 h h + ............ 2 beta23 k l ) The conversion of the U or B matrices to the beta matrix beta = C U C = C B C /8pi**2 where C is conversion matrix defined here."""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "cell_convert_Uij_to_betaij"@en ; core:prefLabel "cell.convert_Uij_to_betaij"@en . :_cell_convert_Uiso_to_Uij a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_cell.convert_Uiso_to_Uij"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The reciprocal space matrix for converting the isotropic Uiso atomic displacement parameter to the anisotropic matrix Uij. | 1 cos(gamma*) cos(beta*) | U[i,j] = Uiso * | cos(gamma*) 1 cos(alpha*) | | cos(beta*) cos(alpha*) 1 | """@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "cell_convert_Uiso_to_Uij"@en ; core:prefLabel "cell.convert_Uiso_to_Uij"@en . :_cell_formula_units_Z a owl:Class ; cif_:_name "_cell.formula_units_Z"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The number of the formula units in the unit cell as specified by _chemical_formula.structural, _chemical_formula.moiety or _chemical_formula.sum."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_cell_formula_units_Z"@en, "cell_formula_units_Z"@en ; core:prefLabel "cell.formula_units_Z"@en . :_cell_length_a a owl:Class ; cif_:_name "_cell.length_a"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The length of each cell axis."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_length_a"@en, "cell_length_a"@en ; core:prefLabel "cell.length_a"@en . :_cell_length_a_su a owl:Class ; cif_:_name "_cell.length_a_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Standard uncertainty of the length of each cell axis."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell.length_a_esd"@en, "_cell_length_a_su"@en, "cell_length_a_su"@en ; core:prefLabel "cell.length_a_su"@en . :_cell_length_b a owl:Class ; cif_:_name "_cell.length_b"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The length of each cell axis."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_length_b"@en, "cell_length_b"@en ; core:prefLabel "cell.length_b"@en . :_cell_length_b_su a owl:Class ; cif_:_name "_cell.length_b_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Standard uncertainty of the length of each cell axis."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell.length_b_esd"@en, "_cell_length_b_su"@en, "cell_length_b_su"@en ; core:prefLabel "cell.length_b_su"@en . :_cell_length_c a owl:Class ; cif_:_name "_cell.length_c"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The length of each cell axis."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_length_c"@en, "cell_length_c"@en ; core:prefLabel "cell.length_c"@en . :_cell_length_c_su a owl:Class ; cif_:_name "_cell.length_c_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Standard uncertainty of the length of each cell axis."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell.length_c_esd"@en, "_cell_length_c_su"@en, "cell_length_c_su"@en ; core:prefLabel "cell.length_c_su"@en . :_cell_measurement_pressure a owl:Class ; cif_:_name "_cell_measurement.pressure"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kilopascals"^^xsd:string ; rdfs:comment """ The pressure at which the unit-cell parameters were measured (not the pressure used to synthesize the sample)."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_measurement_pressure"@en, "cell_measurement_pressure"@en ; core:prefLabel "cell_measurement.pressure"@en . :_cell_measurement_pressure_su a owl:Class ; cif_:_name "_cell_measurement.pressure_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kilopascals"^^xsd:string ; rdfs:comment """ Standard uncertainty of the pressure at which the unit-cell parameters were measured."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_measurement.pressure_esd"@en, "_cell_measurement_pressure_su"@en, "cell_measurement_pressure_su"@en ; core:prefLabel "cell_measurement.pressure_su"@en . :_cell_measurement_radiation a owl:Class ; cif_:_name "_cell_measurement.radiation"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "X-ray tube"@en, "neutron"@en, "synchrotron"@en ; rdfs:comment """ Description of the radiation used to measure the unit-cell data."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_cell_measurement_radiation"@en, "cell_measurement_radiation"@en ; core:prefLabel "cell_measurement.radiation"@en . :_cell_measurement_refln_hkl a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_cell_measurement_refln.hkl"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Miller indices of a reflection used to measure the unit cell."""@en ; rdfs:subClassOf :Shape3IntegerMatrix ; core:altLabel "cell_measurement_refln_hkl"@en ; core:prefLabel "cell_measurement_refln.hkl"@en . :_cell_measurement_refln_index_h a owl:Class ; cif_:_name "_cell_measurement_refln.index_h"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_cell_measurement_refln_index_h"@en, "cell_measurement_refln_index_h"@en ; core:prefLabel "cell_measurement_refln.index_h"@en . :_cell_measurement_refln_index_k a owl:Class ; cif_:_name "_cell_measurement_refln.index_k"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_cell_measurement_refln_index_k"@en, "cell_measurement_refln_index_k"@en ; core:prefLabel "cell_measurement_refln.index_k"@en . :_cell_measurement_refln_index_l a owl:Class ; cif_:_name "_cell_measurement_refln.index_l"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_cell_measurement_refln_index_l"@en, "cell_measurement_refln_index_l"@en ; core:prefLabel "cell_measurement_refln.index_l"@en . :_cell_measurement_refln_theta a owl:Class ; cif_:_name "_cell_measurement_refln.theta"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Theta angle of reflection used to measure the crystal unit cell."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_measurement_refln_theta"@en, "cell_measurement_refln_theta"@en ; core:prefLabel "cell_measurement_refln.theta"@en . :_cell_measurement_reflns_used a owl:Class ; cif_:_name "_cell_measurement.reflns_used"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Total number of reflections used to determine the unit cell. The reflections may be specified as cell_measurement_refln items."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_cell_measurement_reflns_used"@en, "cell_measurement_reflns_used"@en ; core:prefLabel "cell_measurement.reflns_used"@en . :_cell_measurement_temperature a owl:Class ; cif_:_name "_cell_measurement.temperature"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ The temperature at which the unit-cell parameters were measured (not the temperature of synthesis)."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_measurement.temp"@en, "_cell_measurement_temp"@en, "_cell_measurement_temperature"@en, "cell_measurement_temperature"@en ; core:prefLabel "cell_measurement.temperature"@en . :_cell_measurement_temperature_su a owl:Class ; cif_:_name "_cell_measurement.temperature_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ Standard uncertainty of the temperature of at which the unit-cell parameters were measured."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_measurement.temp_esd"@en, "_cell_measurement_temp_su"@en, "cell_measurement_temperature_su"@en ; core:prefLabel "cell_measurement.temperature_su"@en . :_cell_measurement_theta_max a owl:Class ; cif_:_name "_cell_measurement.theta_max"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Maximum theta scattering angle of reflections used to measure the crystal unit cell."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_measurement_theta_max"@en, "cell_measurement_theta_max"@en ; core:prefLabel "cell_measurement.theta_max"@en . :_cell_measurement_theta_min a owl:Class ; cif_:_name "_cell_measurement.theta_min"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Minimum theta scattering angle of reflections used to measure the crystal unit cell."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_measurement_theta_min"@en, "cell_measurement_theta_min"@en ; core:prefLabel "cell_measurement.theta_min"@en . :_cell_measurement_wavelength a owl:Class ; cif_:_name "_cell_measurement.wavelength"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Wavelength of the radiation used to measure the unit cell. If this is not specified, the wavelength is assumed to be the same as that given in _diffrn_radiation_wavelength.value"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_measurement_wavelength"@en, "cell_measurement_wavelength"@en ; core:prefLabel "cell_measurement.wavelength"@en . :_cell_metric_tensor a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_cell.metric_tensor"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The direct space (covariant) metric tensor used to transform vectors and coordinates from real (direct) to reciprocal space."""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "cell_metric_tensor"@en ; core:prefLabel "cell.metric_tensor"@en . :_cell_orthogonal_matrix a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_cell.orthogonal_matrix"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Orthogonal matrix of the crystal unit cell. Definition uses Rollet's axial assignments with cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and b in plane YZ."""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "cell_orthogonal_matrix"@en ; core:prefLabel "cell.orthogonal_matrix"@en . :_cell_reciprocal_angle_alpha a owl:Class ; cif_:_name "_cell.reciprocal_angle_alpha"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Reciprocal of the angle between _cell.length_b and _cell.length_c. Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_reciprocal_angle_alpha"@en, "cell_reciprocal_angle_alpha"@en ; core:prefLabel "cell.reciprocal_angle_alpha"@en . :_cell_reciprocal_angle_alpha_su a owl:Class ; cif_:_name "_cell.reciprocal_angle_alpha_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Standard uncertainty of the reciprocal of the angle between _cell.length_b and _cell.length_c."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell.reciprocal_angle_alpha_esd"@en, "_cell_reciprocal_angle_alpha_su"@en, "cell_reciprocal_angle_alpha_su"@en ; core:prefLabel "cell.reciprocal_angle_alpha_su"@en . :_cell_reciprocal_angle_beta a owl:Class ; cif_:_name "_cell.reciprocal_angle_beta"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Reciprocal of the angle between _cell.length_a and _cell.length_c. Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_reciprocal_angle_beta"@en, "cell_reciprocal_angle_beta"@en ; core:prefLabel "cell.reciprocal_angle_beta"@en . :_cell_reciprocal_angle_beta_su a owl:Class ; cif_:_name "_cell.reciprocal_angle_beta_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Standard uncertainty of the reciprocal of the angle between _cell.length_a and _cell.length_c."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell.reciprocal_angle_beta_esd"@en, "_cell_reciprocal_angle_beta_su"@en, "cell_reciprocal_angle_beta_su"@en ; core:prefLabel "cell.reciprocal_angle_beta_su"@en . :_cell_reciprocal_angle_gamma a owl:Class ; cif_:_name "_cell.reciprocal_angle_gamma"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Reciprocal of the angle between _cell.length_a and _cell.length_b. Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_reciprocal_angle_gamma"@en, "cell_reciprocal_angle_gamma"@en ; core:prefLabel "cell.reciprocal_angle_gamma"@en . :_cell_reciprocal_angle_gamma_su a owl:Class ; cif_:_name "_cell.reciprocal_angle_gamma_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Standard uncertainty of the reciprocal of the angle between _cell.length_a and _cell.length_b."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell.reciprocal_angle_gamma_esd"@en, "_cell_reciprocal_angle_gamma_su"@en, "cell_reciprocal_angle_gamma_su"@en ; core:prefLabel "cell.reciprocal_angle_gamma_su"@en . :_cell_reciprocal_length_a a owl:Class ; cif_:_name "_cell.reciprocal_length_a"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Reciprocal of the _cell.length_a."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_reciprocal_length_a"@en, "cell_reciprocal_length_a"@en ; core:prefLabel "cell.reciprocal_length_a"@en . :_cell_reciprocal_length_a_su a owl:Class ; cif_:_name "_cell.reciprocal_length_a_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Standard uncertainty of the reciprocal of the _cell.length_a."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell.reciprocal_length_a_esd"@en, "_cell_reciprocal_length_a_su"@en, "cell_reciprocal_length_a_su"@en ; core:prefLabel "cell.reciprocal_length_a_su"@en . :_cell_reciprocal_length_b a owl:Class ; cif_:_name "_cell.reciprocal_length_b"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Reciprocal of the _cell.length_b."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_reciprocal_length_b"@en, "cell_reciprocal_length_b"@en ; core:prefLabel "cell.reciprocal_length_b"@en . :_cell_reciprocal_length_b_su a owl:Class ; cif_:_name "_cell.reciprocal_length_b_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Standard uncertainty of the reciprocal of the _cell.length_b."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell.reciprocal_length_b_esd"@en, "_cell_reciprocal_length_b_su"@en, "cell_reciprocal_length_b_su"@en ; core:prefLabel "cell.reciprocal_length_b_su"@en . :_cell_reciprocal_length_c a owl:Class ; cif_:_name "_cell.reciprocal_length_c"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Reciprocal of the _cell.length_c."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_reciprocal_length_c"@en, "cell_reciprocal_length_c"@en ; core:prefLabel "cell.reciprocal_length_c"@en . :_cell_reciprocal_length_c_su a owl:Class ; cif_:_name "_cell.reciprocal_length_c_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Standard uncertainty of the reciprocal of the _cell.length_c."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell.reciprocal_length_c_esd"@en, "_cell_reciprocal_length_c_su"@en, "cell_reciprocal_length_c_su"@en ; core:prefLabel "cell.reciprocal_length_c_su"@en . :_cell_reciprocal_metric_tensor a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_cell.reciprocal_metric_tensor"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The reciprocal (contravariant) metric tensor used to transform vectors and coordinates from reciprocal space to real (direct) space."""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "cell_reciprocal_metric_tensor"@en ; core:prefLabel "cell.reciprocal_metric_tensor"@en . :_cell_reciprocal_orthogonal_matrix a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_cell.reciprocal_orthogonal_matrix"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Orthogonal matrix of the reciprocal space. The matrix may be used to transform the non-orthogonal vector h = (h,k,l) into the orthogonal indices p = (p,q,r) M h = p"""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "cell_reciprocal_orthogonal_matrix"@en ; core:prefLabel "cell.reciprocal_orthogonal_matrix"@en . :_cell_reciprocal_vector_a a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_cell.reciprocal_vector_a"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Reciprocal of the _cell.vector_a."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "cell_reciprocal_vector_a"@en ; core:prefLabel "cell.reciprocal_vector_a"@en . :_cell_reciprocal_vector_b a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_cell.reciprocal_vector_b"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Reciprocal of the _cell.vector_b."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "cell_reciprocal_vector_b"@en ; core:prefLabel "cell.reciprocal_vector_b"@en . :_cell_reciprocal_vector_c a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_cell.reciprocal_vector_c"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Reciprocal of the _cell.vector_c."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "cell_reciprocal_vector_c"@en ; core:prefLabel "cell.reciprocal_vector_c"@en . :_cell_special_details a owl:Class ; cif_:_name "_cell.special_details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Description of special aspects of the cell choice, noting possible alternative settings."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_cell.details"@en, "_cell_special_details"@en, "cell_special_details"@en ; core:prefLabel "cell.special_details"@en . :_cell_vector_a a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_cell.vector_a"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The cell vector along the x axis."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "cell_vector_a"@en ; core:prefLabel "cell.vector_a"@en . :_cell_vector_b a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_cell.vector_b"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The cell vector along the y axis."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "cell_vector_b"@en ; core:prefLabel "cell.vector_b"@en . :_cell_vector_c a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_cell.vector_c"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The cell vector along the z axis."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "cell_vector_c"@en ; core:prefLabel "cell.vector_c"@en . :_cell_volume a owl:Class ; cif_:_name "_cell.volume"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_cubed"^^xsd:string ; rdfs:comment """ Volume of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell_volume"@en, "cell_volume"@en ; core:prefLabel "cell.volume"@en . :_cell_volume_su a owl:Class ; cif_:_name "_cell.volume_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstrom_cubed"^^xsd:string ; rdfs:comment """ Standard uncertainty of the volume of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_cell.volume_esd"@en, "_cell_volume_su"@en, "cell_volume_su"@en ; core:prefLabel "cell.volume_su"@en . :_chemical_absolute_configuration a owl:Class ; cif_:_name "_chemical.absolute_configuration"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Necessary conditions for this assignment are given by Flack, H. D. & Bernardinelli, G. (1999). Acta Cryst. A55, 908-915. (http://www.iucr.org/paper?sh0129) Flack, H. D. & Bernardinelli, G. (2000). J. Appl. Cryst. 33, 1143-1148. (http://www.iucr.org/paper?ks0021)"""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_absolute_configuration"@en, "chemical_absolute_configuration"@en ; core:prefLabel "chemical.absolute_configuration"@en . :_chemical_compound_source a owl:Class ; cif_:_name "_chemical.compound_source"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Description of the source of the compound under study, or of the parent molecule if a simple derivative is studied. This includes the place of discovery for minerals or the actual source of a natural product."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_compound_source"@en, "chemical_compound_source"@en ; core:prefLabel "chemical.compound_source"@en . :_chemical_conn_atom_NCA a owl:Class ; cif_:_name "_chemical_conn_atom.NCA"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Total number of connected atoms excluding terminal hydrogen atoms."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_chemical_conn_atom_NCA"@en, "chemical_conn_atom_NCA"@en ; core:prefLabel "chemical_conn_atom.NCA"@en . :_chemical_conn_atom_NH a owl:Class ; cif_:_name "_chemical_conn_atom.NH"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Total number of hydrogen atoms attached to this atom, regardless of whether they are included in the refinement or the atom_site list. This number will be the same as _atom_site.attached_hydrogens only if none of the hydrogen atoms appear in the atom_site list."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_chemical_conn_atom_NH"@en, "chemical_conn_atom_NH"@en ; core:prefLabel "chemical_conn_atom.NH"@en . :_chemical_conn_atom_charge a owl:Class ; cif_:_name "_chemical_conn_atom.charge"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The net integer charge assigned to this atom. This is the formal charge assignment normally found in chemical diagrams."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_chemical_conn_atom_charge"@en, "chemical_conn_atom_charge"@en ; core:prefLabel "chemical_conn_atom.charge"@en . :_chemical_conn_atom_display_x a owl:Class ; cif_:_name "_chemical_conn_atom.display_x"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Cartesian coordinate (x) of the atom site in a chemical diagram. The coordinate origin is at the lower left corner, the x axis is horizontal."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_conn_atom_display_x"@en, "chemical_conn_atom_display_x"@en ; core:prefLabel "chemical_conn_atom.display_x"@en . :_chemical_conn_atom_display_y a owl:Class ; cif_:_name "_chemical_conn_atom.display_y"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Cartesian coordinate (y) of the atom site in a chemical diagram. The coordinate origin is at the lower left corner, the y axis is vertical."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_conn_atom_display_y"@en, "chemical_conn_atom_display_y"@en ; core:prefLabel "chemical_conn_atom.display_y"@en . :_chemical_conn_atom_number a owl:Class ; cif_:_name "_chemical_conn_atom.number"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The chemical sequence number to be associated with this atom."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_chemical_conn_atom_number"@en, "chemical_conn_atom_number"@en ; core:prefLabel "chemical_conn_atom.number"@en . :_chemical_conn_atom_type_symbol a owl:Class ; cif_:_name "_chemical_conn_atom.type_symbol"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ A code identifying the atom type."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_chemical_conn_atom_type_symbol"@en, "chemical_conn_atom_type_symbol"@en ; core:prefLabel "chemical_conn_atom.type_symbol"@en . :_chemical_conn_bond_atom_1 a owl:Class ; cif_:_name "_chemical_conn_bond.atom_1"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Index id of first atom in a bond connecting two atom sites."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_chem_comp_bond.atom_id_1"@en, "_chemical_conn_bond_atom_1"@en, "chemical_conn_bond_atom_1"@en ; core:prefLabel "chemical_conn_bond.atom_1"@en . :_chemical_conn_bond_atom_2 a owl:Class ; cif_:_name "_chemical_conn_bond.atom_2"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Index id of second atom in a bond connecting two atom sites."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_chem_comp_bond.atom_id_2"@en, "_chemical_conn_bond_atom_2"@en, "chemical_conn_bond_atom_2"@en ; core:prefLabel "chemical_conn_bond.atom_2"@en . :_chemical_conn_bond_distance a owl:Class ; cif_:_name "_chemical_conn_bond.distance"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The value that should be taken as the target for the chemical bond associated with the specified atoms, expressed as a distance."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chem_comp_bond.value_dist"@en, "chemical_conn_bond_distance"@en ; core:prefLabel "chemical_conn_bond.distance"@en . :_chemical_conn_bond_id a owl:Class ; cif_:_name "_chemical_conn_bond.id"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Unique identifier for the bond."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_conn_bond.id"@en, "chemical_conn_bond_id"@en ; core:prefLabel "chemical_conn_bond.id"@en . :_chemical_conn_bond_type a owl:Class ; cif_:_name "_chemical_conn_bond.type"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Code for the chemical bond type."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chem_comp_bond.value_order"@en, "_chemical_conn_bond_type"@en, "chemical_conn_bond_type"@en ; core:prefLabel "chemical_conn_bond.type"@en . :_chemical_enantioexcess_bulk a owl:Class ; cif_:_name "_chemical.enantioexcess_bulk"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The enantioexcess of the bulk material from which the crystals were grown. A value of 0.0 indicates the racemate. A value of 1.0 indicates that the compound is enantiomerically pure. Enantioexcess is defined in the IUPAC Recommendations (Moss et al., 1996). The composition of the crystal and bulk must be the same. Ref: Moss G. P. et al. (1996). Basic Terminology of Stereochemistry. Pure Appl. Chem., 68, 2193-2222. http://www.chem.qmul.ac.uk/iupac/stereo/index.html"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_enantioexcess_bulk"@en, "chemical_enantioexcess_bulk"@en ; core:prefLabel "chemical.enantioexcess_bulk"@en . :_chemical_enantioexcess_bulk_technique a owl:Class ; cif_:_name "_chemical.enantioexcess_bulk_technique"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Technique used to determine the enantioexcess of the bulk compound."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_enantioexcess_bulk_technique"@en, "chemical_enantioexcess_bulk_technique"@en ; core:prefLabel "chemical.enantioexcess_bulk_technique"@en . :_chemical_enantioexcess_crystal a owl:Class ; cif_:_name "_chemical.enantioexcess_crystal"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The enantioexcess of the crystal used for the diffraction study. A value of 0.0 indicates the racemate. A value of 1.0 indicates that the crystal is enantiomerically pure. Enantioexcess is defined in the IUPAC Recommendations (Moss et al., 1996). Ref: Moss G. P. et al. (1996). Basic Terminology of Stereochemistry. Pure Appl. Chem., 68, 2193-2222. http://www.chem.qmul.ac.uk/iupac/stereo/index.html"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_enantioexcess_crystal"@en, "chemical_enantioexcess_crystal"@en ; core:prefLabel "chemical.enantioexcess_crystal"@en . :_chemical_enantioexcess_crystal_technique a owl:Class ; cif_:_name "_chemical.enantioexcess_crystal_technique"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Technique used to determine the enantioexcess of the crystal."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_enantioexcess_crystal_technique"@en, "chemical_enantioexcess_crystal_technique"@en ; core:prefLabel "chemical.enantioexcess_crystal_technique"@en . :_chemical_formula_analytical a owl:Class ; cif_:_name "_chemical_formula.analytical"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "Fe2.45(2) Ni1.60(3) S4"@en ; rdfs:comment """ Formula determined by standard chemical analysis including trace elements. Parentheses are used only for standard uncertainties (su's)."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_formula_analytical"@en, "chemical_formula_analytical"@en ; core:prefLabel "chemical_formula.analytical"@en . :_chemical_formula_iupac a owl:Class ; cif_:_name "_chemical_formula.iupac"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "[Co Re (C12 H22 P)2 (C O)6].0.5C H3 O H"@en ; rdfs:comment """ Formula expressed in conformance with IUPAC rules for inorganic and metal-organic compounds where these conflict with the rules for any other chemical_formula entries. Typically used for formatting a formula in accordance with journal rules. This should appear in the data block in addition to the most appropriate of the other chemical_formula data names. Ref: IUPAC (1990). Nomenclature of Inorganic Chemistry. Oxford: Blackwell Scientific Publications."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_formula_iupac"@en, "chemical_formula_iupac"@en ; core:prefLabel "chemical_formula.iupac"@en . :_chemical_formula_moiety a owl:Class ; cif_:_name "_chemical_formula.moiety"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "(Cd 2+)3, (C6 N6 Cr 3-)2, 2(H2 O)"@en, "C12 H16 N2 O6, 5(H2 O1)"@en, "C12 H17 N4 O S 1+, C6 H2 N3 O7 1-"@en, "C7 H4 Cl Hg N O3 S"@en ; rdfs:comment """ Formula with each discrete bonded residue or ion shown as a separate moiety. See above CHEMICAL_FORMULA for rules for writing chemical formulae. In addition to the general formulae requirements, the following rules apply: 1. Moieties are separated by commas ','. 2. The order of elements within a moiety follows general rule 5 in CHEMICAL_FORMULA. 3. Parentheses are not used within moieties but may surround a moiety. Parentheses may not be nested. 4. Charges should be placed at the end of the moiety. The Singlege '+' or '-' may be preceded by a numerical multiplier and should be separated from the last (element symbol + count) by a space. Pre- or post-multipliers may be used for individual moieties."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_formula_moiety"@en, "chemical_formula_moiety"@en ; core:prefLabel "chemical_formula.moiety"@en . :_chemical_formula_structural a owl:Class ; cif_:_name "_chemical_formula.structural"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "(Pt (N H3)2 (C5 H7 N3 O)2) (Cl O4)2"@en, "Ca ((Cl O3)2 O)2 (H2 O)6"@en ; rdfs:comment """ This formula should correspond to the structure as reported, i.e. trace elements not included in atom type and atom site lists should not be included. See category description for the rules for writing chemical formulae for inorganics, organometallics, metal complexes etc., in which bonded groups are preserved as discrete entities within parentheses, with post-multipliers as required. The order of the elements should give as much information as possible about the chemical structure. Parentheses may be used and nested as required. This formula should correspond to the structure as actually reported, i.e. trace elements not included in atom-type and atom-site lists should not be included (see also _chemical_formula.analytical)."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_formula_structural"@en, "chemical_formula_structural"@en ; core:prefLabel "chemical_formula.structural"@en . :_chemical_formula_sum a owl:Class ; cif_:_name "_chemical_formula.sum"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "C18 H19 N7 O8 S"@en ; rdfs:comment """ Chemical formulae in which all discrete bonded residues and ions are summed over the constituent elements, following the ordering given in rule 5 of the CATEGORY description. Parentheses normally not used."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_formula_sum"@en, "chemical_formula_sum"@en ; core:prefLabel "chemical_formula.sum"@en . :_chemical_formula_weight a owl:Class ; cif_:_name "_chemical_formula.weight"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "dalton"^^xsd:string ; rdfs:comment """ Mass corresponding to the formulae _chemical_formula.structural, *_iupac, *_moiety or *_sum and, together with the Z value and cell parameters yield the density given as _exptl_crystal.density_diffrn."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_formula_weight"@en, "chemical_formula_weight"@en ; core:prefLabel "chemical_formula.weight"@en . :_chemical_formula_weight_meas a owl:Class ; cif_:_name "_chemical_formula.weight_meas"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "dalton"^^xsd:string ; rdfs:comment """ Formula mass measured by a non-diffraction experiment."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_formula_weight_meas"@en, "chemical_formula_weight_meas"@en ; core:prefLabel "chemical_formula.weight_meas"@en . :_chemical_identifier_inchi a owl:Class ; cif_:_name "_chemical.identifier_inchi"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H'"@en, "naphthalene"@en ; rdfs:comment """ The IUPAC International Chemical Identifier (InChI) is a textual identifier for chemical substances, designed to provide a standard and human-readable way to encode molecular information and to facilitate the search for such information in databases and on the web. Ref: McNaught, A. (2006). Chem. Int. (IUPAC), 28 (6), 12-14. http://www.iupac.org/inchi/"""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_identifier_inchi"@en, "chemical_identifier_inchi"@en ; core:prefLabel "chemical.identifier_inchi"@en . :_chemical_identifier_inchi_key a owl:Class ; cif_:_name "_chemical.identifier_inchi_key"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "InChIKey=OROGSEYTTFOCAN-DNJOTXNNBG"@en, "codeine"@en ; rdfs:comment """ The InChIKey is a compact hashed version of the full InChI (IUPAC International Chemical Identifier), designed to allow for easy web searches of chemical compounds. See http://www.iupac.org/inchi/"""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_identifier_inchi_key"@en, "chemical_identifier_inchi_key"@en ; core:prefLabel "chemical.identifier_inchi_key"@en . :_chemical_identifier_inchi_version a owl:Class ; cif_:_name "_chemical.identifier_inchi_version"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "1.03"@en ; rdfs:comment """ Version number of the InChI standard to which the associated chemical identifier string applies."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_chemical_identifier_inchi_version"@en, "chemical_identifier_inchi_version"@en ; core:prefLabel "chemical.identifier_inchi_version"@en . :_chemical_melting_point a owl:Class ; cif_:_name "_chemical.melting_point"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ The temperature at which a crystalline solid changes to a liquid."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_melting_point"@en, "chemical_melting_point"@en ; core:prefLabel "chemical.melting_point"@en . :_chemical_melting_point_gt a owl:Class ; cif_:_name "_chemical.melting_point_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ A temperature above which the melting point lies. _chemical.melting_point should be used in preference where possible."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_melting_point_gt"@en, "chemical_melting_point_gt"@en ; core:prefLabel "chemical.melting_point_gt"@en . :_chemical_melting_point_lt a owl:Class ; cif_:_name "_chemical.melting_point_lt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ A temperature below which the melting point lies. _chemical.melting_point should be used in preference where possible."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_melting_point_lt"@en, "chemical_melting_point_lt"@en ; core:prefLabel "chemical.melting_point_lt"@en . :_chemical_name_common a owl:Class ; cif_:_name "_chemical.name_common"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Trivial name by which the compound is commonly known."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_name_common"@en, "chemical_name_common"@en ; core:prefLabel "chemical.name_common"@en . :_chemical_name_mineral a owl:Class ; cif_:_name "_chemical.name_mineral"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Mineral name accepted by the International Mineralogical Association. Use only for natural minerals."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_name_mineral"@en, "chemical_name_mineral"@en ; core:prefLabel "chemical.name_mineral"@en . :_chemical_name_structure_type a owl:Class ; cif_:_name "_chemical.name_structure_type"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Commonly used structure-type name. Usually only applied to minerals or inorganic compounds."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_name_structure_type"@en, "chemical_name_structure_type"@en ; core:prefLabel "chemical.name_structure_type"@en . :_chemical_name_systematic a owl:Class ; cif_:_name "_chemical.name_systematic"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ IUPAC or Chemical Abstracts full name of compound."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_name_systematic"@en, "chemical_name_systematic"@en ; core:prefLabel "chemical.name_systematic"@en . :_chemical_optical_rotation a owl:Class ; cif_:_name "_chemical.optical_rotation"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "[\\a]^25^~D~ = +108 (c = 3.42, CHCl~3~)"@en ; rdfs:comment """ The optical rotation in solution of the compound is specified in the following format: '[\\a]^TEMP^~WAVE~ = SORT (c = CONC, SOLV)' where: TEMP is the temperature of the measurement in degrees Celsius, WAVE is an indication of the wavelength of the light used for the measurement, CONC is the concentration of the solution given as the mass of the substance in g in 100 ml of solution, SORT is the signed value (preceded by a + or a - sign) of 100.\\a/(l.c), where \\a is the signed optical rotation in degrees measured in a cell of length l in dm and c is the value of CONC in g, and SOLV is the chemical formula of the solvent."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_optical_rotation"@en, "chemical_optical_rotation"@en ; core:prefLabel "chemical.optical_rotation"@en . :_chemical_properties_biological a owl:Class ; cif_:_name "_chemical.properties_biological"^^xsd:string ; cif_:_type cif_:Text ; cif_:example """antibiotic activity against Bacillus subtilis (ATCC 6051) but no significant activity against Candida albicans (ATCC 14053), Aspergillus flavus (NRRL 6541) & Fusarium verticillioides (NRRL 25457)"""@en, """diverse biological activities including use as a laxative and strong antibacterial activity against S. aureus and weak activity against cyclooxygenase-1 (COX-1)"""@en, "low toxicity against Drosophila melanogaster"@en, "no influenza A virus sialidase inhibitory & plaque reduction activities"@en, "weakly potent lipoxygenase nonredox inhibitor"@en ; rdfs:comment """ A description of the biological properties of the material."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_properties_biological"@en, "chemical_properties_biological"@en ; core:prefLabel "chemical.properties_biological"@en . :_chemical_properties_physical a owl:Class ; cif_:_name "_chemical.properties_physical"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "air-sensitive"@en, "deliquescent"@en, "ferromagnetic at low temperature"@en, "hygroscopic"@en, "moisture-sensitive"@en, "oxygen-sensitive"@en, "paramagnetic and thermochromic"@en, "photo-sensitive"@en, "pyrophoric"@en, "semiconductor"@en ; rdfs:comment """ A description of the physical properties of the material."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_chemical_properties_physical"@en, "chemical_properties_physical"@en ; core:prefLabel "chemical.properties_physical"@en . :_chemical_temperature_decomposition a owl:Class ; cif_:_name "_chemical.temperature_decomposition"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ The temperature at which a crystalline solid decomposes."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_temperature_decomposition"@en, "chemical_temperature_decomposition"@en ; core:prefLabel "chemical.temperature_decomposition"@en . :_chemical_temperature_decomposition_gt a owl:Class ; cif_:_name "_chemical.temperature_decomposition_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ The temperature above which a crystalline solid decomposes. _chemical.temperature_decomposition should be used in preference."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_temperature_decomposition_gt"@en, "chemical_temperature_decomposition_gt"@en ; core:prefLabel "chemical.temperature_decomposition_gt"@en . :_chemical_temperature_decomposition_lt a owl:Class ; cif_:_name "_chemical.temperature_decomposition_lt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ The temperature below which a crystalline solid decomposes. _chemical.temperature_decomposition should be used in preference."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_temperature_decomposition_lt"@en, "chemical_temperature_decomposition_lt"@en ; core:prefLabel "chemical.temperature_decomposition_lt"@en . :_chemical_temperature_decomposition_su a owl:Class ; cif_:_name "_chemical.temperature_decomposition_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ Standard uncertainty of the temperature at which a crystalline solid decomposes."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical.temperature_decomposition_esd"@en, "_chemical_temperature_decomposition_su"@en, "chemical_temperature_decomposition_su"@en ; core:prefLabel "chemical.temperature_decomposition_su"@en . :_chemical_temperature_sublimation a owl:Class ; cif_:_name "_chemical.temperature_sublimation"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ The temperature at which a crystalline solid sublimates."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_temperature_sublimation"@en, "chemical_temperature_sublimation"@en ; core:prefLabel "chemical.temperature_sublimation"@en . :_chemical_temperature_sublimation_gt a owl:Class ; cif_:_name "_chemical.temperature_sublimation_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ The temperature above which a crystalline solid sublimates. _chemical.temperature_sublimation should be used in preference."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_temperature_sublimation_gt"@en, "chemical_temperature_sublimation_gt"@en ; core:prefLabel "chemical.temperature_sublimation_gt"@en . :_chemical_temperature_sublimation_lt a owl:Class ; cif_:_name "_chemical.temperature_sublimation_lt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ The temperature below which a crystalline solid sublimates. _chemical.temperature_sublimation should be used in preference."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical_temperature_sublimation_lt"@en, "chemical_temperature_sublimation_lt"@en ; core:prefLabel "chemical.temperature_sublimation_lt"@en . :_chemical_temperature_sublimation_su a owl:Class ; cif_:_name "_chemical.temperature_sublimation_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ Standard uncertainty of the temperature at which a crystalline solid sublimates."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_chemical.temperature_sublimation_esd"@en, "_chemical_temperature_sublimation_su"@en, "chemical_temperature_sublimation_su"@en ; core:prefLabel "chemical.temperature_sublimation_su"@en . :_citation_abstract a owl:Class ; cif_:_name "_citation.abstract"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Abstract for the citation. This is used most when the citation is extracted from a bibliographic database that contains full text or abstract information."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_abstract"@en, "citation_abstract"@en ; core:prefLabel "citation.abstract"@en . :_citation_abstract_id_CAS a owl:Class ; cif_:_name "_citation.abstract_id_CAS"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Chemical Abstracts Service (CAS) abstract identifier."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_abstract_id_CAS"@en, "citation_abstract_id_CAS"@en ; core:prefLabel "citation.abstract_id_CAS"@en . :_citation_author_citation_id a owl:Class ; cif_:_name "_citation_author.citation_id"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code identifier in the CITATION data list. The value of must match an identifier specified in the CITATION list."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_citation_author_citation_id"@en, "citation_author_citation_id"@en ; core:prefLabel "citation_author.citation_id"@en . :_citation_author_key a owl:Class ; cif_:_name "_citation_author.key"^^xsd:string ; cif_:_type cif_:Implied ; rdfs:comment """ Value is a unique key to a set of CITATION_AUTHOR items in a looped list."""@en ; rdfs:subClassOf cif_:Implied ; core:altLabel "_citation_author.key"@en, "citation_author_key"@en ; core:prefLabel "citation_author.key"@en . :_citation_author_name a owl:Class ; cif_:_name "_citation_author.name"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "Bleary, Percival R."@en, "M\\\"uller, H.A."@en, "O'Neil, F.K."@en, "Ross II, C.R."@en, "Simonov, Yu.A"@en, "Van den Bossche, G."@en, "Yang, D.-L."@en ; rdfs:comment """ Name of citation author; relevant for articles and book chapters. The family name(s), followed by a comma and including any dynastic components, precedes the first name(s) or initial(s)."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_author_name"@en, "citation_author_name"@en ; core:prefLabel "citation_author.name"@en . :_citation_author_ordinal a owl:Class ; cif_:_name "_citation_author.ordinal"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Ordinal code specifies the order of the author's name in the list of authors of the citation."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_citation_author_ordinal"@en, "citation_author_ordinal"@en ; core:prefLabel "citation_author.ordinal"@en . :_citation_book_id_ISBN a owl:Class ; cif_:_name "_citation.book_id_ISBN"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ International Standard Book Number (ISBN) for book chap. cited."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_book_id_ISBN"@en, "citation_book_id_ISBN"@en ; core:prefLabel "citation.book_id_ISBN"@en . :_citation_book_publisher a owl:Class ; cif_:_name "_citation.book_publisher"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Publisher of the citation; relevant for book chapters."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_book_publisher"@en, "citation_book_publisher"@en ; core:prefLabel "citation.book_publisher"@en . :_citation_book_publisher_city a owl:Class ; cif_:_name "_citation.book_publisher_city"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Location of publisher of the citation; relevant for book chapters."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_book_publisher_city"@en, "citation_book_publisher_city"@en ; core:prefLabel "citation.book_publisher_city"@en . :_citation_book_title a owl:Class ; cif_:_name "_citation.book_title"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Title of the book in which the citation appeared."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_book_title"@en, "citation_book_title"@en ; core:prefLabel "citation.book_title"@en . :_citation_coordinate_linkage a owl:Class ; cif_:_name "_citation.coordinate_linkage"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Code specifies whether this citation is concerned with precisely the set of coordinates given in the data block. If, for instance, the publication described the same structure, but the coordinates had undergone further refinement prior to creation of the data block, the value of this data item would be 'no'."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_coordinate_linkage"@en, "citation_coordinate_linkage"@en ; core:prefLabel "citation.coordinate_linkage"@en . :_citation_country a owl:Class ; cif_:_name "_citation.country"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Country of publication; for journal articles and book chapters."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_country"@en, "citation_country"@en ; core:prefLabel "citation.country"@en . :_citation_database_id_CSD a owl:Class ; cif_:_name "_citation.database_id_CSD"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Identifier ('refcode') of the database record in the Cambridge Structural Database containing details of the cited structure."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_citation_database_id_CSD"@en, "citation_database_id_CSD"@en ; core:prefLabel "citation.database_id_CSD"@en . :_citation_database_id_Medline a owl:Class ; cif_:_name "_citation.database_id_Medline"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ MEDLINE accession number categorizing a bibliographic entry."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_citation_database_id_Medline"@en, "citation_database_id_Medline"@en ; core:prefLabel "citation.database_id_Medline"@en . :_citation_doi a owl:Class ; cif_:_name "_citation.doi"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "."@en, "/"@en, "0"@en, "1"@en, "5"@en, "6"@en, "7"@en, "9"@en, "C"@en, "D"@en, "Q"@en, "V"@en ; rdfs:comment """The Digital Object Identifier (DOI) of the cited work. A DOI is a unique character string identifying any object of intellectual property. It provides a persistent identifier for an object on a digital network and permits the association of related current data in a structured extensible way. A DOI is an implementation of the Internet concepts of Uniform Resource Name and Universal Resource Locator managed according to the specifications of the International DOI Foundation (see http://www.doi.org)."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_"@en, "a"@en, "c"@en, "citation_doi"@en, "d"@en, "i"@en, "n"@en, "o"@en, "t"@en ; core:prefLabel "citation.doi"@en . :_citation_editor_citation_id a owl:Class ; cif_:_name "_citation_editor.citation_id"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code identifier in the CITATION list. The value must match an identifier specified by _citation.id in the CITATION list."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_citation_editor_citation_id"@en, "citation_editor_citation_id"@en ; core:prefLabel "citation_editor.citation_id"@en . :_citation_editor_id a owl:Class ; cif_:_name "_citation_editor.id"^^xsd:string ; cif_:_type cif_:Implied ; rdfs:comment """ Value is a unique key to a set of CITATION_EDITOR items in a looped list."""@en ; rdfs:subClassOf cif_:Implied ; core:altLabel "_citation_editor.id"@en, "citation_editor_id"@en ; core:prefLabel "citation_editor.id"@en . :_citation_editor_name a owl:Class ; cif_:_name "_citation_editor.name"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "Bleary, Percival R."@en, "M\\\"uller, H.A."@en, "O'Neil, F.K."@en, "Ross II, C.R."@en, "Simonov, Yu.A"@en, "Van den Bossche, G."@en, "Yang, D.-L."@en ; rdfs:comment """ Name of citation editor; relevant for book chapters. The family name(s), followed by a comma and including any dynastic components, precedes the first name(s) or initial(s)."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_editor"@en, "_citation_editor_name"@en, "citation_editor_name"@en ; core:prefLabel "citation_editor.name"@en . :_citation_editor_ordinal a owl:Class ; cif_:_name "_citation_editor.ordinal"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ This data item defines the order of the editor's name in the list of editors of a citation."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_citation_editor_ordinal"@en, "citation_editor_ordinal"@en ; core:prefLabel "citation_editor.ordinal"@en . :_citation_id a owl:Class ; cif_:_name "_citation.id"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "1"@en, "2"@en, "3"@en, "primary"@en ; rdfs:comment """ Unique identifier to the CITATION list. A value of 'primary' should be used to indicate the citation that the author(s) consider to be the most pertinent to the contents of the data block. Note that this item need not be a number; it can be any unique identifier."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_citation_id"@en, "citation_id"@en ; core:prefLabel "citation.id"@en . :_citation_journal_abbrev a owl:Class ; cif_:_name "_citation.journal_abbrev"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "J. Mol. Biol."@en ; rdfs:comment """ Abbreviated name of the journal cited as given in the Chemical Abstracts Service Source Index."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_journal_abbrev"@en, "citation_journal_abbrev"@en ; core:prefLabel "citation.journal_abbrev"@en . :_citation_journal_full a owl:Class ; cif_:_name "_citation.journal_full"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "Journal of Molecular Biology"@en ; rdfs:comment """ Full name of the journal cited; relevant for journal articles."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_journal_full"@en, "citation_journal_full"@en ; core:prefLabel "citation.journal_full"@en . :_citation_journal_id_ASTM a owl:Class ; cif_:_name "_citation.journal_id_ASTM"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ American Society for the Testing of Materials (ASTM) code assigned to the journal cited (also referred to as the CODEN designator of the Chemical Abstracts Service); relevant for journal articles."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_citation_journal_id_ASTM"@en, "citation_journal_id_ASTM"@en ; core:prefLabel "citation.journal_id_ASTM"@en . :_citation_journal_id_CSD a owl:Class ; cif_:_name "_citation.journal_id_CSD"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "0070"@en ; rdfs:comment """ The Cambridge Structural Database (CSD) code assigned to the journal cited; relevant for journal articles. This is also the system used at the Protein Data Bank (PDB)."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_citation_journal_id_CSD"@en, "citation_journal_id_CSD"@en ; core:prefLabel "citation.journal_id_CSD"@en . :_citation_journal_id_ISSN a owl:Class ; cif_:_name "_citation.journal_id_ISSN"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ The International Standard Serial Number (ISSN) code assigned to the journal cited; relevant for journal articles."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_citation_journal_id_ISSN"@en, "citation_journal_id_ISSN"@en ; core:prefLabel "citation.journal_id_ISSN"@en . :_citation_journal_issue a owl:Class ; cif_:_name "_citation.journal_issue"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; cif_:example "2"@en ; rdfs:comment """ Issue number of the journal cited; relevant for articles."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_citation_journal_issue"@en, "citation_journal_issue"@en ; core:prefLabel "citation.journal_issue"@en . :_citation_journal_volume a owl:Class ; cif_:_name "_citation.journal_volume"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; cif_:example "174"@en ; rdfs:comment """ Volume number of the journal cited; relevant for articles."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_citation_journal_volume"@en, "citation_journal_volume"@en ; core:prefLabel "citation.journal_volume"@en . :_citation_language a owl:Class ; cif_:_name "_citation.language"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "German"@en ; rdfs:comment """ Language in which the citation appears."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_language"@en, "citation_language"@en ; core:prefLabel "citation.language"@en . :_citation_page_first a owl:Class ; cif_:_name "_citation.page_first"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ First page of citation; relevant for articles and book chapters."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_page_first"@en, "citation_page_first"@en ; core:prefLabel "citation.page_first"@en . :_citation_page_last a owl:Class ; cif_:_name "_citation.page_last"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Last page of citation; relevant for articles and book chapters."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_page_last"@en, "citation_page_last"@en ; core:prefLabel "citation.page_last"@en . :_citation_publisher a owl:Class ; cif_:_name "_citation.publisher"^^xsd:string ; cif_:_type cif_:Text ; cif_:example ""@en, "C"@en, "D"@en, "a"@en, "b"@en, "c"@en, "d"@en, "e"@en, "g"@en, "h"@en, "i"@en, "l"@en, "m"@en, "n"@en, "o"@en, "p"@en, "r"@en, "s"@en, "t"@en, "y"@en ; rdfs:comment """The name of the publisher of the cited work. This should be used for citations of journal articles or datasets (in the latter case the publisher could be a curated database). For books or book chapters use _citation.book_publisher."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_"@en, "a"@en, "b"@en, "c"@en, "citation_publisher"@en, "e"@en, "h"@en, "i"@en, "l"@en, "n"@en, "o"@en, "p"@en, "r"@en, "s"@en, "t"@en, "u"@en ; core:prefLabel "citation.publisher"@en . :_citation_special_details a owl:Class ; cif_:_name "_citation.special_details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Special aspects of the relationship of the data block contents to the literature item cited."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation.details"@en, "_citation_special_details"@en, "citation_special_details"@en ; core:prefLabel "citation.special_details"@en . :_citation_title a owl:Class ; cif_:_name "_citation.title"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Title of citation; relevant for articles and book chapters."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_title"@en, "citation_title"@en ; core:prefLabel "citation.title"@en . :_citation_year a owl:Class ; cif_:_name "_citation.year"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Year of citation; relevant for articles and book chapters."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_citation_year"@en, "citation_year"@en ; core:prefLabel "citation.year"@en . :_computing_cell_refinement a owl:Class ; cif_:_name "_computing.cell_refinement"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "CAD-4 (Enraf-Nonius, 1989)"@en ; rdfs:comment """ Brief description of software used for cell refinement."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_computing_cell_refinement"@en, "computing_cell_refinement"@en ; core:prefLabel "computing.cell_refinement"@en . :_computing_diffrn_collection a owl:Class ; cif_:_name "_computing.diffrn_collection"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "CAD-4 (Enraf-Nonius, 1989)"@en ; rdfs:comment """ Description of software used to measure diffraction data."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_computing.data_collection"@en, "_computing_data_collection"@en, "computing_diffrn_collection"@en ; core:prefLabel "computing.diffrn_collection"@en . :_computing_diffrn_reduction a owl:Class ; cif_:_name "_computing.diffrn_reduction"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "DIFDAT, SORTRF, ADDREF (Hall & Stewart, 1990)"@en ; rdfs:comment """ Description of software used to convert diffraction data to measured structure factors."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_computing.data_reduction"@en, "_computing_data_reduction"@en, "computing_diffrn_reduction"@en ; core:prefLabel "computing.diffrn_reduction"@en . :_computing_molecular_graphics a owl:Class ; cif_:_name "_computing.molecular_graphics"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Brief description of software used for molecular graphics."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_computing_molecular_graphics"@en, "computing_molecular_graphics"@en ; core:prefLabel "computing.molecular_graphics"@en . :_computing_publication_material a owl:Class ; cif_:_name "_computing.publication_material"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Brief description of software used for publication material."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_computing_publication_material"@en, "computing_publication_material"@en ; core:prefLabel "computing.publication_material"@en . :_computing_structure_refinement a owl:Class ; cif_:_name "_computing.structure_refinement"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "SHELXL93 (Sheldrick, 1993)"@en ; rdfs:comment """ Brief description of software used for structure refinement."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_computing_structure_refinement"@en, "computing_structure_refinement"@en ; core:prefLabel "computing.structure_refinement"@en . :_computing_structure_solution a owl:Class ; cif_:_name "_computing.structure_solution"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "SHELXS86 (Sheldrick, 1990)"@en ; rdfs:comment """ Brief description of software used for structure solution."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_computing_structure_solution"@en, "computing_structure_solution"@en ; core:prefLabel "computing.structure_solution"@en . :_database_CSD_history a owl:Class ; cif_:_name "_database.CSD_history"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The history of changes made by the Cambridge Crystallographic Data Centre and incorporated into the Cambridge Structural Database (CSD)."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_database_CSD_history"@en, "database_CSD_history"@en ; core:prefLabel "database.CSD_history"@en . :_database_code_CAS a owl:Class ; cif_:_name "_database_code.CAS"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code assigned by the Chemical Abstracts Service."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_database.code_CAS"@en, "_database_code_CAS"@en, "database_code_CAS"@en ; core:prefLabel "database_code.CAS"@en . :_database_code_COD a owl:Class ; cif_:_name "_database_code.COD"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code assigned by the Crystallography Open Database (COD)."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_database.code_COD"@en, "_database_code_COD"@en, "database_code_COD"@en ; core:prefLabel "database_code.COD"@en . :_database_code_CSD a owl:Class ; cif_:_name "_database_code.CSD"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code assigned by the Cambridge Structural Database."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_database.code_CSD"@en, "_database_code_CSD"@en, "database_code_CSD"@en ; core:prefLabel "database_code.CSD"@en . :_database_code_ICSD a owl:Class ; cif_:_name "_database_code.ICSD"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code assigned by the Inorganic Crystal Structure Database."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_database.code_ICSD"@en, "_database_code_ICSD"@en, "database_code_ICSD"@en ; core:prefLabel "database_code.ICSD"@en . :_database_code_MDF a owl:Class ; cif_:_name "_database_code.MDF"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code assigned in the Metals Data File."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_database.code_MDF"@en, "_database_code_MDF"@en, "database_code_MDF"@en ; core:prefLabel "database_code.MDF"@en . :_database_code_NBS a owl:Class ; cif_:_name "_database_code.NBS"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code assigned by the NBS (NIST) Crystal Data Database."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_database.code_NBS"@en, "_database_code_NBS"@en, "database_code_NBS"@en ; core:prefLabel "database_code.NBS"@en . :_database_code_PDB a owl:Class ; cif_:_name "_database_code.PDB"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code assigned by the Protein Data Bank."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_database.code_PDB"@en, "_database_code_PDB"@en, "database_code_PDB"@en ; core:prefLabel "database_code.PDB"@en . :_database_code_PDF a owl:Class ; cif_:_name "_database_code.PDF"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code assigned in the Powder Diffraction File."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_database.code_PDF"@en, "_database_code_PDF"@en, "database_code_PDF"@en ; core:prefLabel "database_code.PDF"@en . :_database_code_depnum_ccdc_archive a owl:Class ; cif_:_name "_database_code.depnum_ccdc_archive"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Deposition numbers assigned by the Cambridge Crystallographic Data Centre (CCDC) to files containing structural information archived by the CCDC."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_database.code_depnum_ccdc_archive"@en, "_database_code_depnum_ccdc_archive"@en, "database_code_depnum_ccdc_archive"@en ; core:prefLabel "database_code.depnum_ccdc_archive"@en . :_database_code_depnum_ccdc_fiz a owl:Class ; cif_:_name "_database_code.depnum_ccdc_fiz"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Deposition numbers assigned by the Fachinformationszentrum Karlsruhe (FIZ) to files containing structural information archived by the Cambridge Crystallographic Data Centre (CCDC)."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_database.code_depnum_ccdc_fiz"@en, "_database_code_depnum_ccdc_fiz"@en, "database_code_depnum_ccdc_fiz"@en ; core:prefLabel "database_code.depnum_ccdc_fiz"@en . :_database_code_depnum_ccdc_journal a owl:Class ; cif_:_name "_database_code.depnum_ccdc_journal"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Deposition numbers assigned by various journals to files containing structural information archived by the Cambridge Crystallographic Data Centre (CCDC)."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_database.code_depnum_ccdc_journal"@en, "_database_code_depnum_ccdc_journal"@en, "database_code_depnum_ccdc_journal"@en ; core:prefLabel "database_code.depnum_ccdc_journal"@en . :_database_dataset_doi a owl:Class ; cif_:_name "_database.dataset_doi"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "."@en, "/"@en, "0"@en, "1"@en, "2"@en, "4"@en, "b"@en, "d"@en, "h"@en, "p"@en ; rdfs:comment """The digital object identifier (DOI) registered to identify a data set publication associated with the structure described in the current datablock. This should be used for a dataset obtained from a curated database such as CSD or PDB. A DOI is a unique character string identifying any object of intellectual property. It provides a persistent identifier for an object on a digital network and permits the association of related current data in a structured extensible way. A DOI is an implementation of the Internet concepts of Uniform Resource Name and Universal Resource Locator managed according to the specifications of the International DOI Foundation (see http://www.doi.org)."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_"@en, "a"@en, "b"@en, "d"@en, "database_dataset_doi"@en, "e"@en, "i"@en, "o"@en, "s"@en, "t"@en ; core:prefLabel "database.dataset_doi"@en . :_database_journal_ASTM a owl:Class ; cif_:_name "_database.journal_ASTM"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ ASTM CODEN designator for a journal as given in the Chemical Source List maintained by the Chemical Abstracts Service."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_database_journal_ASTM"@en, "database_journal_ASTM"@en ; core:prefLabel "database.journal_ASTM"@en . :_database_journal_CSD a owl:Class ; cif_:_name "_database.journal_CSD"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ The journal code used in the Cambridge Structural Database."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_database_journal_CSD"@en, "database_journal_CSD"@en ; core:prefLabel "database.journal_CSD"@en . :_database_related_database_id a owl:Class ; cif_:_name "_database_related.database_id"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ An identifier for the database that contains the related dataset."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "database_related_database_id"@en ; core:prefLabel "database_related.database_id"@en . :_database_related_entry_code a owl:Class ; cif_:_name "_database_related.entry_code"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The code used by the database referred to in _database_related.database_id to identify the related dataset."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "database_related_entry_code"@en ; core:prefLabel "database_related.entry_code"@en . :_database_related_id a owl:Class ; cif_:_name "_database_related.id"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ An identifier for this database reference."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "database_related_id"@en ; core:prefLabel "database_related.id"@en . :_database_related_relation a owl:Class ; cif_:_name "_database_related.relation"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The general relationship of the data in the data block to the dataset referred to in the database."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "database_related_relation"@en ; core:prefLabel "database_related.relation"@en . :_database_related_special_details a owl:Class ; cif_:_name "_database_related.special_details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Information about the external dataset and relationship not encoded elsewhere."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "database_related_special_details"@en ; core:prefLabel "database_related.special_details"@en . :_diffrn_ambient_environment a owl:Class ; cif_:_name "_diffrn.ambient_environment"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "He"@en, "mother liquor"@en, "vacuum"@en ; rdfs:comment """ The gas or liquid environment of the crystal sample, if not air."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_ambient_environment"@en, "diffrn_ambient_environment"@en ; core:prefLabel "diffrn.ambient_environment"@en . :_diffrn_ambient_pressure a owl:Class ; cif_:_name "_diffrn.ambient_pressure"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kilopascals"^^xsd:string ; rdfs:comment """ Mean hydrostatic pressure at which intensities were measured."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_ambient_pressure"@en, "diffrn_ambient_pressure"@en ; core:prefLabel "diffrn.ambient_pressure"@en . :_diffrn_ambient_pressure_gt a owl:Class ; cif_:_name "_diffrn.ambient_pressure_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kilopascals"^^xsd:string ; rdfs:comment """ Mean hydrostatic pressure above which intensities were measured. These items allow for a pressure range to be given. _diffrn.ambient_pressure should be used in preference to this item when possible."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_ambient_pressure_gt"@en, "diffrn_ambient_pressure_gt"@en ; core:prefLabel "diffrn.ambient_pressure_gt"@en . :_diffrn_ambient_pressure_lt a owl:Class ; cif_:_name "_diffrn.ambient_pressure_lt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kilopascals"^^xsd:string ; rdfs:comment """ Mean hydrostatic pressure below which intensities were measured. These items allow for a pressure range to be given. _diffrn.ambient_pressure should be used in preference to this item when possible."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_ambient_pressure_lt"@en, "diffrn_ambient_pressure_lt"@en ; core:prefLabel "diffrn.ambient_pressure_lt"@en . :_diffrn_ambient_pressure_su a owl:Class ; cif_:_name "_diffrn.ambient_pressure_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kilopascals"^^xsd:string ; rdfs:comment """ Standard uncertainty of the mean hydrostatic pressure at which intensities were measured."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn.ambient_pressure_esd"@en, "_diffrn_ambient_pressure_su"@en, "diffrn_ambient_pressure_su"@en ; core:prefLabel "diffrn.ambient_pressure_su"@en . :_diffrn_ambient_temperature a owl:Class ; cif_:_name "_diffrn.ambient_temperature"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ Mean temperature at which intensities were measured."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn.ambient_temp"@en, "_diffrn_ambient_temp"@en, "_diffrn_ambient_temperature"@en, "diffrn_ambient_temperature"@en ; core:prefLabel "diffrn.ambient_temperature"@en . :_diffrn_ambient_temperature_details a owl:Class ; cif_:_name "_diffrn.ambient_temperature_details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ A description of special aspects of temperature control during data collection."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn.ambient_temp_details"@en, "_diffrn_ambient_temp_details"@en, "diffrn_ambient_temperature_details"@en ; core:prefLabel "diffrn.ambient_temperature_details"@en . :_diffrn_ambient_temperature_gt a owl:Class ; cif_:_name "_diffrn.ambient_temperature_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ Mean temperature above which intensities were measured. These items allow for a temperature range to be given. _diffrn.ambient_temperature should be used in preference to this item when possible."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn.ambient_temp_gt"@en, "_diffrn_ambient_temp_gt"@en, "_diffrn_ambient_temperature_gt"@en, "diffrn_ambient_temperature_gt"@en ; core:prefLabel "diffrn.ambient_temperature_gt"@en . :_diffrn_ambient_temperature_lt a owl:Class ; cif_:_name "_diffrn.ambient_temperature_lt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ Mean temperature below which intensities were measured. These items allow for a temperature range to be given. _diffrn.ambient_temperature should be used in preference to this item when possible."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn.ambient_temp_lt"@en, "_diffrn_ambient_temp_lt"@en, "_diffrn_ambient_temperature_lt"@en, "diffrn_ambient_temperature_lt"@en ; core:prefLabel "diffrn.ambient_temperature_lt"@en . :_diffrn_ambient_temperature_su a owl:Class ; cif_:_name "_diffrn.ambient_temperature_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ Standard uncertainty of the mean temperature at which intensities were measured."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn.ambient_temp_esd"@en, "_diffrn_ambient_temp_su"@en, "_diffrn_ambient_temperature_su"@en, "diffrn_ambient_temperature_su"@en ; core:prefLabel "diffrn.ambient_temperature_su"@en . :_diffrn_attenuator_code a owl:Class ; cif_:_name "_diffrn_attenuator.code"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code identifying a particular attenuator setting; referenced by the _diffrn_refln.attenuator_code which is stored with the intensities."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_diffrn_attenuator_code"@en, "diffrn_attenuator_code"@en ; core:prefLabel "diffrn_attenuator.code"@en . :_diffrn_attenuator_material a owl:Class ; cif_:_name "_diffrn_attenuator.material"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Description of the material from which the attenuator is made."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_attenuator_material"@en, "diffrn_attenuator_material"@en ; core:prefLabel "diffrn_attenuator.material"@en . :_diffrn_attenuator_scale a owl:Class ; cif_:_name "_diffrn_attenuator.scale"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The scale factor applied to a measured intensity if it is reduced by an attenuator identified by _diffrn_attenuator.code."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_attenuator_scale"@en, "diffrn_attenuator_scale"@en ; core:prefLabel "diffrn_attenuator.scale"@en . :_diffrn_crystal_support a owl:Class ; cif_:_name "_diffrn.crystal_support"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "fiber"@en, "glass capillary"@en, "metal loop"@en, "quartz capillary"@en ; rdfs:comment """ The physical device used to support the crystal during data collection."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "diffrn_crystal_support"@en ; core:prefLabel "diffrn.crystal_support"@en . :_diffrn_crystal_treatment a owl:Class ; cif_:_name "_diffrn.crystal_treatment"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "equilibrated in hutch for 24 hours"@en, "flash frozen in liquid nitrogen"@en, "slow cooled with direct air stream"@en ; rdfs:comment """ Remarks about how the crystal was treated prior to intensity measurement. Particularly relevant when intensities were measured at low temperature."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_crystal_treatment"@en, "diffrn_crystal_treatment"@en ; core:prefLabel "diffrn.crystal_treatment"@en . :_diffrn_detector_area_resol_mean a owl:Class ; cif_:_name "_diffrn_detector.area_resol_mean"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "pixels_per_millimetre"^^xsd:string ; rdfs:comment """ The resolution limit of an area diffraction radiation detector."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_detector_area_resol_mean"@en, "diffrn_detector_area_resol_mean"@en ; core:prefLabel "diffrn_detector.area_resol_mean"@en . :_diffrn_detector_description a owl:Class ; cif_:_name "_diffrn_detector.description"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "BF~3~ counter"@en, "CCD plate"@en, "photographic film"@en, "scintillation counter"@en ; rdfs:comment """ Description of the type of diffraction radiation detector."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_detector"@en, "_diffrn_detector.detector"@en, "_diffrn_radiation_detector"@en, "diffrn_detector_description"@en ; core:prefLabel "diffrn_detector.description"@en . :_diffrn_detector_details a owl:Class ; cif_:_name "_diffrn_detector.details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Description of special aspects of the radiation detector."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_detector_details"@en, "diffrn_detector_details"@en ; core:prefLabel "diffrn_detector.details"@en . :_diffrn_detector_dtime a owl:Class ; cif_:_name "_diffrn_detector.dtime"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "microseconds"^^xsd:string ; rdfs:comment """ The maximum time between two detector signals that cannot be resolved."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_detector_dtime"@en, "_diffrn_radiation.detector_dtime"@en, "_diffrn_radiation_detector_dtime"@en, "diffrn_detector_dtime"@en ; core:prefLabel "diffrn_detector.dtime"@en . :_diffrn_detector_make a owl:Class ; cif_:_name "_diffrn_detector.make"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The make, model or name of the diffraction radiation detector."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_detector.type"@en, "_diffrn_detector_type"@en, "diffrn_detector_make"@en ; core:prefLabel "diffrn_detector.make"@en . :_diffrn_measured_fraction_theta_full a owl:Class ; cif_:_name "_diffrn.measured_fraction_theta_full"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Fraction of unique (symmetry-independent) reflections measured out to _diffrn_reflns.theta_full."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_measured_fraction_theta_full"@en, "diffrn_measured_fraction_theta_full"@en ; core:prefLabel "diffrn.measured_fraction_theta_full"@en . :_diffrn_measured_fraction_theta_max a owl:Class ; cif_:_name "_diffrn.measured_fraction_theta_max"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Fraction of unique (symmetry-independent) reflections measured out to _diffrn_reflns.theta_max."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_measured_fraction_theta_max"@en, "diffrn_measured_fraction_theta_max"@en ; core:prefLabel "diffrn.measured_fraction_theta_max"@en . :_diffrn_measurement_details a owl:Class ; cif_:_name "_diffrn_measurement.details"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "440 frames of 0.25\\%"@en ; rdfs:comment """ Description of special aspects of the diffraction measurement."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn.measurement_details"@en, "_diffrn_measurement_details"@en, "diffrn_measurement_details"@en ; core:prefLabel "diffrn_measurement.details"@en . :_diffrn_measurement_device_class a owl:Class ; cif_:_name "_diffrn_measurement.device_class"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "\\k-geometry diffractometer"@en, "four-circle diffractometer"@en, "oscillation camera"@en, "precession camera"@en, "three-circle diffractometer"@en ; rdfs:comment """ Type of goniometer device used to mount and orient the specimen."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn.measurement_device_class"@en, "_diffrn_measurement.device"@en, "_diffrn_measurement_device"@en, "diffrn_measurement_device_class"@en ; core:prefLabel "diffrn_measurement.device_class"@en . :_diffrn_measurement_device_details a owl:Class ; cif_:_name "_diffrn_measurement.device_details"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "commercial goniometer modified locally to allow for 90\\% \\t arc"@en ; rdfs:comment """ Details of the goniometer device used in the diffraction experiment."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn.measurement_device_details"@en, "_diffrn_measurement_device_details"@en, "diffrn_measurement_device_details"@en ; core:prefLabel "diffrn_measurement.device_details"@en . :_diffrn_measurement_device_make a owl:Class ; cif_:_name "_diffrn_measurement.device_make"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "Enraf-Nonius model s"@en, "Huber model r"@en, "Supper model q"@en, "home-made"@en ; rdfs:comment """ The make, model or name of the goniometer device used."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn.measurement_device_make"@en, "_diffrn_measurement.device_type"@en, "_diffrn_measurement_device_type"@en, "diffrn_measurement_device_make"@en ; core:prefLabel "diffrn_measurement.device_make"@en . :_diffrn_measurement_method a owl:Class ; cif_:_name "_diffrn_measurement.method"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "profile data from \\q/2\\q scans"@en ; rdfs:comment """ Description of scan method used to measure diffraction intensities."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn.measurement_method"@en, "_diffrn_measurement_method"@en, "diffrn_measurement_method"@en ; core:prefLabel "diffrn_measurement.method"@en . :_diffrn_measurement_specimen_attachment_type a owl:Class ; cif_:_name "_diffrn_measurement.specimen_attachment_type"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ The way in which the sample is attached to the sample holder, including the type of adhesive material used if relevant. The sample holder is usually wholly outside the beam, whereas the attachment method may cause non-sample material to be illuminated. If the attachment method is not included in the list below, 'Other' should be chosen and details provided in _diffrn_measurement.specimen_support """@en ; rdfs:subClassOf cif_:Code ; core:altLabel "diffrn_measurement_specimen_attachment_type"@en ; core:prefLabel "diffrn_measurement.specimen_attachment_type"@en . :_diffrn_measurement_specimen_support a owl:Class ; cif_:_name "_diffrn_measurement.specimen_support"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "fiber"@en, "glass capillary"@en, "metal loop"@en, "quartz capillary"@en ; rdfs:comment """ Mounting method for the crystal specimen during data collection."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn.measurement_specimen_support"@en, "_diffrn_measurement_specimen_support"@en, "diffrn_measurement_specimen_support"@en ; core:prefLabel "diffrn_measurement.specimen_support"@en . :_diffrn_orient_matrix_UBIJ a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_diffrn_orient_matrix.UBIJ"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The 3x3 matrix specifying the orientation of the crystal with respect to the diffractometer axes."""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "diffrn_orient_matrix_UBIJ"@en ; core:prefLabel "diffrn_orient_matrix.UBIJ"@en . :_diffrn_orient_matrix_UB_11 a owl:Class ; cif_:_name "_diffrn_orient_matrix.UB_11"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix of the orientation of the crystal axes to the diffractometer goniometer."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_matrix.UB[1][1]"@en, "_diffrn_orient_matrix_UB_11"@en, "diffrn_orient_matrix_UB_11"@en ; core:prefLabel "diffrn_orient_matrix.UB_11"@en . :_diffrn_orient_matrix_UB_12 a owl:Class ; cif_:_name "_diffrn_orient_matrix.UB_12"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix of the orientation of the crystal axes to the diffractometer goniometer."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_matrix.UB[1][2]"@en, "_diffrn_orient_matrix_UB_12"@en, "diffrn_orient_matrix_UB_12"@en ; core:prefLabel "diffrn_orient_matrix.UB_12"@en . :_diffrn_orient_matrix_UB_13 a owl:Class ; cif_:_name "_diffrn_orient_matrix.UB_13"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix of the orientation of the crystal axes to the diffractometer goniometer."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_matrix.UB[1][3]"@en, "_diffrn_orient_matrix_UB_13"@en, "diffrn_orient_matrix_UB_13"@en ; core:prefLabel "diffrn_orient_matrix.UB_13"@en . :_diffrn_orient_matrix_UB_21 a owl:Class ; cif_:_name "_diffrn_orient_matrix.UB_21"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix of the orientation of the crystal axes to the diffractometer goniometer."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_matrix.UB[2][1]"@en, "_diffrn_orient_matrix_UB_21"@en, "diffrn_orient_matrix_UB_21"@en ; core:prefLabel "diffrn_orient_matrix.UB_21"@en . :_diffrn_orient_matrix_UB_22 a owl:Class ; cif_:_name "_diffrn_orient_matrix.UB_22"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix of the orientation of the crystal axes to the diffractometer goniometer."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_matrix.UB[2][2]"@en, "_diffrn_orient_matrix_UB_22"@en, "diffrn_orient_matrix_UB_22"@en ; core:prefLabel "diffrn_orient_matrix.UB_22"@en . :_diffrn_orient_matrix_UB_23 a owl:Class ; cif_:_name "_diffrn_orient_matrix.UB_23"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix of the orientation of the crystal axes to the diffractometer goniometer."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_matrix.UB[2][3]"@en, "_diffrn_orient_matrix_UB_23"@en, "diffrn_orient_matrix_UB_23"@en ; core:prefLabel "diffrn_orient_matrix.UB_23"@en . :_diffrn_orient_matrix_UB_31 a owl:Class ; cif_:_name "_diffrn_orient_matrix.UB_31"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix of the orientation of the crystal axes to the diffractometer goniometer."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_matrix.UB[3][1]"@en, "_diffrn_orient_matrix_UB_31"@en, "diffrn_orient_matrix_UB_31"@en ; core:prefLabel "diffrn_orient_matrix.UB_31"@en . :_diffrn_orient_matrix_UB_32 a owl:Class ; cif_:_name "_diffrn_orient_matrix.UB_32"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix of the orientation of the crystal axes to the diffractometer goniometer."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_matrix.UB[3][2]"@en, "_diffrn_orient_matrix_UB_32"@en, "diffrn_orient_matrix_UB_32"@en ; core:prefLabel "diffrn_orient_matrix.UB_32"@en . :_diffrn_orient_matrix_UB_33 a owl:Class ; cif_:_name "_diffrn_orient_matrix.UB_33"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix of the orientation of the crystal axes to the diffractometer goniometer."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_matrix.UB[3][3]"@en, "_diffrn_orient_matrix_UB_33"@en, "diffrn_orient_matrix_UB_33"@en ; core:prefLabel "diffrn_orient_matrix.UB_33"@en . :_diffrn_orient_matrix_type a owl:Class ; cif_:_name "_diffrn_orient_matrix.type"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Description of orientation matrix and how it should be applied to define the orientation of the crystal with respect to the diffractometer axes."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_orient_matrix_type"@en, "diffrn_orient_matrix_type"@en ; core:prefLabel "diffrn_orient_matrix.type"@en . :_diffrn_orient_refln_angle_chi a owl:Class ; cif_:_name "_diffrn_orient_refln.angle_chi"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle of a reflection measured at the centre of the diffraction peak and used to determine _diffrn_orient_matrix.UBIJ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_refln_angle_chi"@en, "diffrn_orient_refln_angle_chi"@en ; core:prefLabel "diffrn_orient_refln.angle_chi"@en . :_diffrn_orient_refln_angle_kappa a owl:Class ; cif_:_name "_diffrn_orient_refln.angle_kappa"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle of a reflection measured at the centre of the diffraction peak and used to determine _diffrn_orient_matrix.UBIJ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_refln_angle_kappa"@en, "diffrn_orient_refln_angle_kappa"@en ; core:prefLabel "diffrn_orient_refln.angle_kappa"@en . :_diffrn_orient_refln_angle_omega a owl:Class ; cif_:_name "_diffrn_orient_refln.angle_omega"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle of a reflection measured at the centre of the diffraction peak and used to determine _diffrn_orient_matrix.UBIJ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_refln_angle_omega"@en, "diffrn_orient_refln_angle_omega"@en ; core:prefLabel "diffrn_orient_refln.angle_omega"@en . :_diffrn_orient_refln_angle_phi a owl:Class ; cif_:_name "_diffrn_orient_refln.angle_phi"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle of a reflection measured at the centre of the diffraction peak and used to determine _diffrn_orient_matrix.UBIJ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_refln_angle_phi"@en, "diffrn_orient_refln_angle_phi"@en ; core:prefLabel "diffrn_orient_refln.angle_phi"@en . :_diffrn_orient_refln_angle_psi a owl:Class ; cif_:_name "_diffrn_orient_refln.angle_psi"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle of a reflection measured at the centre of the diffraction peak and used to determine _diffrn_orient_matrix.UBIJ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_refln_angle_psi"@en, "diffrn_orient_refln_angle_psi"@en ; core:prefLabel "diffrn_orient_refln.angle_psi"@en . :_diffrn_orient_refln_angle_theta a owl:Class ; cif_:_name "_diffrn_orient_refln.angle_theta"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle of a reflection measured at the centre of the diffraction peak and used to determine _diffrn_orient_matrix.UBIJ."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_orient_refln_angle_theta"@en, "diffrn_orient_refln_angle_theta"@en ; core:prefLabel "diffrn_orient_refln.angle_theta"@en . :_diffrn_orient_refln_hkl a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_diffrn_orient_refln.hkl"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Miller indices of a reflection used to define the orientation matrix."""@en ; rdfs:subClassOf :Shape3IntegerMatrix ; core:altLabel "diffrn_orient_refln_hkl"@en ; core:prefLabel "diffrn_orient_refln.hkl"@en . :_diffrn_orient_refln_index_h a owl:Class ; cif_:_name "_diffrn_orient_refln.index_h"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_orient_refln_index_h"@en, "diffrn_orient_refln_index_h"@en ; core:prefLabel "diffrn_orient_refln.index_h"@en . :_diffrn_orient_refln_index_k a owl:Class ; cif_:_name "_diffrn_orient_refln.index_k"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_orient_refln_index_k"@en, "diffrn_orient_refln_index_k"@en ; core:prefLabel "diffrn_orient_refln.index_k"@en . :_diffrn_orient_refln_index_l a owl:Class ; cif_:_name "_diffrn_orient_refln.index_l"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_orient_refln_index_l"@en, "diffrn_orient_refln_index_l"@en ; core:prefLabel "diffrn_orient_refln.index_l"@en . :_diffrn_radiation_collimation a owl:Class ; cif_:_name "_diffrn_radiation.collimation"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "0.3 mm double-pinhole"@en, "0.5 mm"@en, "focusing mirrors"@en ; rdfs:comment """ Description of the collimation or focusing applied to the radiation."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_radiation_collimation"@en, "diffrn_radiation_collimation"@en ; core:prefLabel "diffrn_radiation.collimation"@en . :_diffrn_radiation_filter_edge a owl:Class ; cif_:_name "_diffrn_radiation.filter_edge"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Absorption edge of the radiation filter used."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_radiation_filter_edge"@en, "diffrn_radiation_filter_edge"@en ; core:prefLabel "diffrn_radiation.filter_edge"@en . :_diffrn_radiation_inhomogeneity a owl:Class ; cif_:_name "_diffrn_radiation.inhomogeneity"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "millimetres"^^xsd:string ; rdfs:comment """ Half-width of the incident beam perpendicular to the diffraction plane."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_radiation_inhomogeneity"@en, "diffrn_radiation_inhomogeneity"@en ; core:prefLabel "diffrn_radiation.inhomogeneity"@en . :_diffrn_radiation_monochromator a owl:Class ; cif_:_name "_diffrn_radiation.monochromator"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "Ge 220"@en, "Zr filter"@en, "equatorial mounted graphite"@en, "none"@en ; rdfs:comment """ Description of the method used to obtain monochromatic radiation. If a monochromator crystal is used the material and the indices of the Bragg reflection are specified."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_radiation_monochromator"@en, "diffrn_radiation_monochromator"@en ; core:prefLabel "diffrn_radiation.monochromator"@en . :_diffrn_radiation_polarisn_norm a owl:Class ; cif_:_name "_diffrn_radiation.polarisn_norm"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ The angle, as viewed from the specimen, between the perpendicular component of the polarisation and the diffraction plane."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_radiation_polarisn_norm"@en, "diffrn_radiation_polarisn_norm"@en ; core:prefLabel "diffrn_radiation.polarisn_norm"@en . :_diffrn_radiation_polarisn_ratio a owl:Class ; cif_:_name "_diffrn_radiation.polarisn_ratio"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Polarisation ratio of the diffraction beam incident on the crystal. It is the ratio of the perpendicularly polarised to the parallel polarised component of the radiation. The perpendicular component forms an angle of _diffrn_radiation.polarisn_norm to the normal to the diffraction plane of the sample (i.e. the plane containing the incident and reflected beams)."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_radiation_polarisn_ratio"@en, "diffrn_radiation_polarisn_ratio"@en ; core:prefLabel "diffrn_radiation.polarisn_ratio"@en . :_diffrn_radiation_probe a owl:Class ; cif_:_name "_diffrn_radiation.probe"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Enumerated code for the nature of radiation used (i.e. name of subatomic particle or region of the electromagnetic spectrum)."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_radiation_probe"@en, "diffrn_radiation_probe"@en ; core:prefLabel "diffrn_radiation.probe"@en . :_diffrn_radiation_type a owl:Class ; cif_:_name "_diffrn_radiation.type"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "Cu K-L~2,3~"@en, "Cu K\\a"@en, "Cu K\\a~1~"@en, "Mo K\\a"@en, "white-beam"@en ; rdfs:comment """ Details of the radiation source or energy spectrum."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_radiation_type"@en, "diffrn_radiation_type"@en ; core:prefLabel "diffrn_radiation.type"@en . :_diffrn_radiation_wavelength_details a owl:Class ; cif_:_name "_diffrn_radiation_wavelength.details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Information about the determination of the radiation diffrn_radiation_wavelength that is not conveyed completely by an enumerated value of _diffrn_radiation_wavelength.determination."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_radiation.wavelength_details"@en, "_diffrn_radiation_wavelength_details"@en, "diffrn_radiation_wavelength_details"@en ; core:prefLabel "diffrn_radiation_wavelength.details"@en . :_diffrn_radiation_wavelength_determination a owl:Class ; cif_:_name "_diffrn_radiation_wavelength.determination"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Method by which the radiation wavelength was determined."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_radiation.wavelength_determination"@en, "_diffrn_radiation_wavelength_determination"@en, "diffrn_radiation_wavelength_determination"@en ; core:prefLabel "diffrn_radiation_wavelength.determination"@en . :_diffrn_radiation_wavelength_id a owl:Class ; cif_:_name "_diffrn_radiation_wavelength.id"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "x2"@en ; rdfs:comment """ Code identifying a radiation used in the diffraction measurements. This is linked to _diffrn_refln.wavelength_id and _refln.wavelength_id"""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_diffrn_radiation.wavelength_id"@en, "_diffrn_radiation_wavelength_id"@en, "diffrn_radiation_wavelength_id"@en ; core:prefLabel "diffrn_radiation_wavelength.id"@en . :_diffrn_radiation_wavelength_value a owl:Class ; cif_:_name "_diffrn_radiation_wavelength.value"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Wavelength of radiation used in diffraction measurements."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_radiation_wavelength"@en, "_diffrn_radiation_wavelength.wavelength"@en, "diffrn_radiation_wavelength_value"@en ; core:prefLabel "diffrn_radiation_wavelength.value"@en . :_diffrn_radiation_wavelength_value_su a owl:Class ; cif_:_name "_diffrn_radiation_wavelength.value_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Standard uncertainty of the wavelength of radiation used in diffraction measurements."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_radiation_wavelength.wavelength_su"@en, "_diffrn_radiation_wavelength_su"@en, "diffrn_radiation_wavelength_value_su"@en ; core:prefLabel "diffrn_radiation_wavelength.value_su"@en . :_diffrn_radiation_wavelength_wt a owl:Class ; cif_:_name "_diffrn_radiation_wavelength.wt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Relative intensity of a radiation used in the diffraction measurements."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_radiation_wavelength_wt"@en, "diffrn_radiation_wavelength_wt"@en ; core:prefLabel "diffrn_radiation_wavelength.wt"@en . :_diffrn_radiation_xray_symbol a owl:Class ; cif_:_name "_diffrn_radiation.xray_symbol"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ IUPAC symbol for the X-ray wavelength for probe radiation."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_radiation_xray_symbol"@en, "diffrn_radiation_xray_symbol"@en ; core:prefLabel "diffrn_radiation.xray_symbol"@en . :_diffrn_refln_angle_chi a owl:Class ; cif_:_name "_diffrn_refln.angle_chi"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle at which the intensity is measured. This was calculated from the specified orientation matrix and the original measured cell dimensions before any subsequent transformations."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln_angle_chi"@en, "diffrn_refln_angle_chi"@en ; core:prefLabel "diffrn_refln.angle_chi"@en . :_diffrn_refln_angle_kappa a owl:Class ; cif_:_name "_diffrn_refln.angle_kappa"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle at which the intensity is measured. This was calculated from the specified orientation matrix and the original measured cell dimensions before any subsequent transformations."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln_angle_kappa"@en, "diffrn_refln_angle_kappa"@en ; core:prefLabel "diffrn_refln.angle_kappa"@en . :_diffrn_refln_angle_omega a owl:Class ; cif_:_name "_diffrn_refln.angle_omega"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle at which the intensity is measured. This was calculated from the specified orientation matrix and the original measured cell dimensions before any subsequent transformations."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln_angle_omega"@en, "diffrn_refln_angle_omega"@en ; core:prefLabel "diffrn_refln.angle_omega"@en . :_diffrn_refln_angle_phi a owl:Class ; cif_:_name "_diffrn_refln.angle_phi"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle at which the intensity is measured. This was calculated from the specified orientation matrix and the original measured cell dimensions before any subsequent transformations."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln_angle_phi"@en, "diffrn_refln_angle_phi"@en ; core:prefLabel "diffrn_refln.angle_phi"@en . :_diffrn_refln_angle_psi a owl:Class ; cif_:_name "_diffrn_refln.angle_psi"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle at which the intensity is measured. This was calculated from the specified orientation matrix and the original measured cell dimensions before any subsequent transformations."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln_angle_psi"@en, "diffrn_refln_angle_psi"@en ; core:prefLabel "diffrn_refln.angle_psi"@en . :_diffrn_refln_angle_theta a owl:Class ; cif_:_name "_diffrn_refln.angle_theta"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle at which the intensity is measured. This was calculated from the specified orientation matrix and the original measured cell dimensions before any subsequent transformations."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln_angle_theta"@en, "diffrn_refln_angle_theta"@en ; core:prefLabel "diffrn_refln.angle_theta"@en . :_diffrn_refln_attenuator_code a owl:Class ; cif_:_name "_diffrn_refln.attenuator_code"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code identifying any attenuator setting for this reflection."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_diffrn_refln_attenuator_code"@en, "diffrn_refln_attenuator_code"@en ; core:prefLabel "diffrn_refln.attenuator_code"@en . :_diffrn_refln_class_code a owl:Class ; cif_:_name "_diffrn_refln.class_code"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code for reflection class, if assigned. e.g. modulated structures"""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_diffrn_refln_class_code"@en, "diffrn_refln_class_code"@en ; core:prefLabel "diffrn_refln.class_code"@en . :_diffrn_refln_counts_bg_1 a owl:Class ; cif_:_name "_diffrn_refln.counts_bg_1"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the diffractometer counts. Background counts before the peak, background after the peak, net counts after background removed, counts for peak scan or position, and the total counts (background plus peak)."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_refln_counts_bg_1"@en, "diffrn_refln_counts_bg_1"@en ; core:prefLabel "diffrn_refln.counts_bg_1"@en . :_diffrn_refln_counts_bg_2 a owl:Class ; cif_:_name "_diffrn_refln.counts_bg_2"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the diffractometer counts. Background counts before the peak, background after the peak, net counts after background removed, counts for peak scan or position, and the total counts (background plus peak)."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_refln_counts_bg_2"@en, "diffrn_refln_counts_bg_2"@en ; core:prefLabel "diffrn_refln.counts_bg_2"@en . :_diffrn_refln_counts_net a owl:Class ; cif_:_name "_diffrn_refln.counts_net"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the diffractometer counts. Background counts before the peak, background after the peak, net counts after background removed, counts for peak scan or position, and the total counts (background plus peak)."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_refln_counts_net"@en, "diffrn_refln_counts_net"@en ; core:prefLabel "diffrn_refln.counts_net"@en . :_diffrn_refln_counts_peak a owl:Class ; cif_:_name "_diffrn_refln.counts_peak"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the diffractometer counts. Background counts before the peak, background after the peak, net counts after background removed, counts for peak scan or position, and the total counts (background plus peak)."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_refln_counts_peak"@en, "diffrn_refln_counts_peak"@en ; core:prefLabel "diffrn_refln.counts_peak"@en . :_diffrn_refln_counts_total a owl:Class ; cif_:_name "_diffrn_refln.counts_total"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the diffractometer counts. Background counts before the peak, background after the peak, net counts after background removed, counts for peak scan or position, and the total counts (background plus peak)."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_refln_counts_total"@en, "diffrn_refln_counts_total"@en ; core:prefLabel "diffrn_refln.counts_total"@en . :_diffrn_refln_detect_slit_horiz a owl:Class ; cif_:_name "_diffrn_refln.detect_slit_horiz"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Total slit aperture angle in the diffraction plane."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln_detect_slit_horiz"@en, "diffrn_refln_detect_slit_horiz"@en ; core:prefLabel "diffrn_refln.detect_slit_horiz"@en . :_diffrn_refln_detect_slit_vert a owl:Class ; cif_:_name "_diffrn_refln.detect_slit_vert"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Total slit aperture angle perpendicular to the diffraction plane."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln_detect_slit_vert"@en, "diffrn_refln_detect_slit_vert"@en ; core:prefLabel "diffrn_refln.detect_slit_vert"@en . :_diffrn_refln_elapsed_time a owl:Class ; cif_:_name "_diffrn_refln.elapsed_time"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "minutes"^^xsd:string ; rdfs:comment """ Elapsed time from the start to the end of the intensity measurement."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln_elapsed_time"@en, "diffrn_refln_elapsed_time"@en ; core:prefLabel "diffrn_refln.elapsed_time"@en . :_diffrn_refln_hkl a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_diffrn_refln.hkl"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Miller indices of a measured reflection. These need not match the _refln.hkl values if a transformation of the original measured cell has taken place."""@en ; rdfs:subClassOf :Shape3IntegerMatrix ; core:altLabel "diffrn_refln_hkl"@en ; core:prefLabel "diffrn_refln.hkl"@en . :_diffrn_refln_index_h a owl:Class ; cif_:_name "_diffrn_refln.index_h"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_refln_index_h"@en, "diffrn_refln_index_h"@en ; core:prefLabel "diffrn_refln.index_h"@en . :_diffrn_refln_index_k a owl:Class ; cif_:_name "_diffrn_refln.index_k"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_refln_index_k"@en, "diffrn_refln_index_k"@en ; core:prefLabel "diffrn_refln.index_k"@en . :_diffrn_refln_index_l a owl:Class ; cif_:_name "_diffrn_refln.index_l"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_refln_index_l"@en, "diffrn_refln_index_l"@en ; core:prefLabel "diffrn_refln.index_l"@en . :_diffrn_refln_intensity_net a owl:Class ; cif_:_name "_diffrn_refln.intensity_net"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Net intensity calculated from the diffraction counts after the attenuator and standard scales have been applied."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln_intensity_net"@en, "diffrn_refln_intensity_net"@en ; core:prefLabel "diffrn_refln.intensity_net"@en . :_diffrn_refln_intensity_net_su a owl:Class ; cif_:_name "_diffrn_refln.intensity_net_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Standard uncertainty of the net intensity calculated from the diffraction counts after the attenuator and standard scales have been applied."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln.intensity_sigma"@en, "_diffrn_refln.intensity_u"@en, "_diffrn_refln_intensity_sigma"@en, "_diffrn_refln_intensity_u"@en, "diffrn_refln_intensity_net_su"@en ; core:prefLabel "diffrn_refln.intensity_net_su"@en . :_diffrn_refln_scale_group_code a owl:Class ; cif_:_name "_diffrn_refln.scale_group_code"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code identifying the scale applying to this reflection."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_diffrn_refln_scale_group_code"@en, "diffrn_refln_scale_group_code"@en ; core:prefLabel "diffrn_refln.scale_group_code"@en . :_diffrn_refln_scan_mode a owl:Class ; cif_:_name "_diffrn_refln.scan_mode"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Code identifying the mode of scanning with a diffractometer. See also _diffrn_refln.scan_width and _diffrn_refln.scan_mode_backgd."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_refln_scan_mode"@en, "diffrn_refln_scan_mode"@en ; core:prefLabel "diffrn_refln.scan_mode"@en . :_diffrn_refln_scan_mode_backgd a owl:Class ; cif_:_name "_diffrn_refln.scan_mode_backgd"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Code identifying mode of scanning to measure the background intensity."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_refln_scan_mode_backgd"@en, "diffrn_refln_scan_mode_backgd"@en ; core:prefLabel "diffrn_refln.scan_mode_backgd"@en . :_diffrn_refln_scan_rate a owl:Class ; cif_:_name "_diffrn_refln.scan_rate"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degree_per_minute"^^xsd:string ; rdfs:comment """ Angular rate of scanning a reflection to measure the intensity."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln_scan_rate"@en, "diffrn_refln_scan_rate"@en ; core:prefLabel "diffrn_refln.scan_rate"@en . :_diffrn_refln_scan_time_backgd a owl:Class ; cif_:_name "_diffrn_refln.scan_time_backgd"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "seconds"^^xsd:string ; rdfs:comment """ Time spent measuring background counts."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln_scan_time_backgd"@en, "diffrn_refln_scan_time_backgd"@en ; core:prefLabel "diffrn_refln.scan_time_backgd"@en . :_diffrn_refln_scan_width a owl:Class ; cif_:_name "_diffrn_refln.scan_width"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Angular scan width when measuring the peak intensity."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln_scan_width"@en, "diffrn_refln_scan_width"@en ; core:prefLabel "diffrn_refln.scan_width"@en . :_diffrn_refln_sin_theta_over_lambda a owl:Class ; cif_:_name "_diffrn_refln.sin_theta_over_lambda"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ (sin theta)/lambda value for this reflection."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln.sint_over_lambda"@en, "_diffrn_refln_sint/lambda"@en, "_diffrn_refln_sint_over_lambda"@en, "diffrn_refln_sin_theta_over_lambda"@en ; core:prefLabel "diffrn_refln.sin_theta_over_lambda"@en . :_diffrn_refln_standard_code a owl:Class ; cif_:_name "_diffrn_refln.standard_code"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code identifying reflections measured repeated as standard intensity. Must match a _diffrn_standard_refln.code values OR set to '.' if it was not used as a intensity standard."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_diffrn_refln_standard_code"@en, "diffrn_refln_standard_code"@en ; core:prefLabel "diffrn_refln.standard_code"@en . :_diffrn_refln_wavelength a owl:Class ; cif_:_name "_diffrn_refln.wavelength"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Mean wavelength of radiation used to measure this intensity."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_refln_wavelength"@en, "diffrn_refln_wavelength"@en ; core:prefLabel "diffrn_refln.wavelength"@en . :_diffrn_refln_wavelength_id a owl:Class ; cif_:_name "_diffrn_refln.wavelength_id"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code identifying the wavelength in the diffrn_radiation_wavelength list."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_diffrn_refln_wavelength_id"@en, "diffrn_refln_wavelength_id"@en ; core:prefLabel "diffrn_refln.wavelength_id"@en . :_diffrn_reflns_Laue_measured_fraction_full a owl:Class ; cif_:_name "_diffrn_reflns.Laue_measured_fraction_full"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Fraction of Laue group unique reflections (symmetry-independent in the Laue group) measured out to the resolution given in _diffrn_reflns.resolution_full or _diffrn_reflns.theta_full. The Laue group always contains a centre of symmetry so that the reflection h,k,l is always equivalent to the reflection -h,-k,-l even in space groups without a centre of symmetry. This number should not be less than 0.95, since it represents the fraction of reflections measured in the part of the diffraction pattern that is essentially complete."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns_Laue_measured_fraction_full"@en, "diffrn_reflns_Laue_measured_fraction_full"@en ; core:prefLabel "diffrn_reflns.Laue_measured_fraction_full"@en . :_diffrn_reflns_Laue_measured_fraction_max a owl:Class ; cif_:_name "_diffrn_reflns.Laue_measured_fraction_max"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Fraction of Laue group unique reflections (symmetry-independent in the Laue group) measured out to the resolution given in _diffrn_reflns.resolution_max or _diffrn_reflns.theta_max. The Laue group always contains a centre of symmetry so that the reflection h,k,l is always equivalent to the reflection -h,-k,-l even in space groups without a centre of symmetry."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns_Laue_measured_fraction_max"@en, "diffrn_reflns_Laue_measured_fraction_max"@en ; core:prefLabel "diffrn_reflns.Laue_measured_fraction_max"@en . :_diffrn_reflns_av_R_equivalents a owl:Class ; cif_:_name "_diffrn_reflns.av_R_equivalents"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The residual [sum av|del(I)| / sum |av(I)|] for symmetry-equivalent reflections used to calculate the average intensity av(I). The av|del(I)| term is the average absolute difference between av(I) and the individual symmetry-equivalent intensities."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns_av_R_equivalents"@en, "diffrn_reflns_av_R_equivalents"@en ; core:prefLabel "diffrn_reflns.av_R_equivalents"@en . :_diffrn_reflns_av_sunetI_over_netI a owl:Class ; cif_:_name "_diffrn_reflns.av_sunetI_over_netI"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Recorded [sum |su(netI)| / sum |netI|] for all measured reflections."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns.av_sigmaI_over_netI"@en, "_diffrn_reflns.av_unetI/netI"@en, "_diffrn_reflns_av_sigmaI/netI"@en, "_diffrn_reflns_av_sigmaI_over_netI"@en, "_diffrn_reflns_av_unetI/netI"@en, "diffrn_reflns_av_sunetI_over_netI"@en ; core:prefLabel "diffrn_reflns.av_sunetI_over_netI"@en . :_diffrn_reflns_class_av_R_eq a owl:Class ; cif_:_name "_diffrn_reflns_class.av_R_eq"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Residual [sum av|del(I)|/sum|av(I)|] for symmetry-equivalent reflections used to calculate the average intensity av(I). The av|del(I)| term is the average absolute difference between av(I) and the individual intensities."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns_class_av_R_eq"@en, "diffrn_reflns_class_av_R_eq"@en ; core:prefLabel "diffrn_reflns_class.av_R_eq"@en . :_diffrn_reflns_class_av_suI_over_I a owl:Class ; cif_:_name "_diffrn_reflns_class.av_suI_over_I"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Recorded [sum|su(net I)|/sum|net I|] in a reflection class."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns_class.av_sgI/I"@en, "_diffrn_reflns_class.av_uI/I"@en, "_diffrn_reflns_class_av_sgI/I"@en, "_diffrn_reflns_class_av_uI/I"@en, "_diffrn_reflns_class_av_uI_over_I"@en, "diffrn_reflns_class_av_suI_over_I"@en ; core:prefLabel "diffrn_reflns_class.av_suI_over_I"@en . :_diffrn_reflns_class_code a owl:Class ; cif_:_name "_diffrn_reflns_class.code"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "m2"@en ; rdfs:comment """ Code identifying a reflection class."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_diffrn_reflns_class_code"@en, "diffrn_reflns_class_code"@en ; core:prefLabel "diffrn_reflns_class.code"@en . :_diffrn_reflns_class_d_res_high a owl:Class ; cif_:_name "_diffrn_reflns_class.d_res_high"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Highest resolution in reflection class i.e. smallest d value in class."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns_class_d_res_high"@en, "diffrn_reflns_class_d_res_high"@en ; core:prefLabel "diffrn_reflns_class.d_res_high"@en . :_diffrn_reflns_class_d_res_low a owl:Class ; cif_:_name "_diffrn_reflns_class.d_res_low"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Lowest resolution in reflection class i.e. largest d value in class."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns_class_d_res_low"@en, "diffrn_reflns_class_d_res_low"@en ; core:prefLabel "diffrn_reflns_class.d_res_low"@en . :_diffrn_reflns_class_description a owl:Class ; cif_:_name "_diffrn_reflns_class.description"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "m=1 first order satellites"@en ; rdfs:comment """ Description of a reflection class."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_reflns_class_description"@en, "diffrn_reflns_class_description"@en ; core:prefLabel "diffrn_reflns_class.description"@en . :_diffrn_reflns_class_number a owl:Class ; cif_:_name "_diffrn_reflns_class.number"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Number of measured intensities for a reflection class, excluding the systematic absences arising from centring translations."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_reflns_class_number"@en, "diffrn_reflns_class_number"@en ; core:prefLabel "diffrn_reflns_class.number"@en . :_diffrn_reflns_limit_h_max a owl:Class ; cif_:_name "_diffrn_reflns.limit_h_max"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_reflns_limit_h_max"@en, "diffrn_reflns_limit_h_max"@en ; core:prefLabel "diffrn_reflns.limit_h_max"@en . :_diffrn_reflns_limit_h_min a owl:Class ; cif_:_name "_diffrn_reflns.limit_h_min"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_reflns_limit_h_min"@en, "diffrn_reflns_limit_h_min"@en ; core:prefLabel "diffrn_reflns.limit_h_min"@en . :_diffrn_reflns_limit_k_max a owl:Class ; cif_:_name "_diffrn_reflns.limit_k_max"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_reflns_limit_k_max"@en, "diffrn_reflns_limit_k_max"@en ; core:prefLabel "diffrn_reflns.limit_k_max"@en . :_diffrn_reflns_limit_k_min a owl:Class ; cif_:_name "_diffrn_reflns.limit_k_min"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_reflns_limit_k_min"@en, "diffrn_reflns_limit_k_min"@en ; core:prefLabel "diffrn_reflns.limit_k_min"@en . :_diffrn_reflns_limit_l_max a owl:Class ; cif_:_name "_diffrn_reflns.limit_l_max"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_reflns_limit_l_max"@en, "diffrn_reflns_limit_l_max"@en ; core:prefLabel "diffrn_reflns.limit_l_max"@en . :_diffrn_reflns_limit_l_min a owl:Class ; cif_:_name "_diffrn_reflns.limit_l_min"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_reflns_limit_l_min"@en, "diffrn_reflns_limit_l_min"@en ; core:prefLabel "diffrn_reflns.limit_l_min"@en . :_diffrn_reflns_limit_max a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_diffrn_reflns.limit_max"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Maximum Miller indices of measured diffraction reflections."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "diffrn_reflns_limit_max"@en ; core:prefLabel "diffrn_reflns.limit_max"@en . :_diffrn_reflns_limit_min a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_diffrn_reflns.limit_min"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Minimum Miller indices of measured diffraction reflections."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "diffrn_reflns_limit_min"@en ; core:prefLabel "diffrn_reflns.limit_min"@en . :_diffrn_reflns_number a owl:Class ; cif_:_name "_diffrn_reflns.number"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Total number of measured intensities, excluding reflections that are classed as systematically absent arising from translational symmetry in the crystal unit cell."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_reflns_number"@en, "diffrn_reflns_number"@en ; core:prefLabel "diffrn_reflns.number"@en . :_diffrn_reflns_point_measured_fraction_full a owl:Class ; cif_:_name "_diffrn_reflns.point_measured_fraction_full"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Fraction of crystal point-group unique reflections (i.e. symmetry-independent in the crystal point group) measured out to the resolution given in _diffrn_reflns.resolution_full or _diffrn_reflns.theta_full. For space groups that do not contain a centre of symmetry the reflections h,k,l and -h,-k,-l are independent. This number should not be less than 0.95, since it represents the fraction of reflections measured in the part of the diffraction pattern that is essentially complete."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns_point_group_measured_fraction_full"@en, "diffrn_reflns_point_measured_fraction_full"@en ; core:prefLabel "diffrn_reflns.point_measured_fraction_full"@en . :_diffrn_reflns_point_measured_fraction_max a owl:Class ; cif_:_name "_diffrn_reflns.point_measured_fraction_max"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Fraction of crystal point-group unique reflections (i.e. symmetry-independent in the crystal point group) measured out to the resolution given in _diffrn_reflns.resolution_max or _diffrn_reflns.theta_max. For space groups that do not contain a centre of symmetry the reflections h,k,l and -h,-k,-l are independent."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns_point_group_measured_fraction_max"@en, "diffrn_reflns_point_measured_fraction_max"@en ; core:prefLabel "diffrn_reflns.point_measured_fraction_max"@en . :_diffrn_reflns_reduction_process a owl:Class ; cif_:_name "_diffrn_reflns.reduction_process"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "data averaged using Fisher test"@en ; rdfs:comment """ How intensities were reduced to structure-factor magnitudes."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_reflns_reduction_process"@en, "diffrn_reflns_reduction_process"@en ; core:prefLabel "diffrn_reflns.reduction_process"@en . :_diffrn_reflns_resolution_full a owl:Class ; cif_:_name "_diffrn_reflns.resolution_full"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ The resolution at which the measured reflection count is close to complete. The fraction of unique reflections measured out to this angle is given by _diffrn.measured_fraction_theta_full."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns_resolution_full"@en, "diffrn_reflns_resolution_full"@en ; core:prefLabel "diffrn_reflns.resolution_full"@en . :_diffrn_reflns_resolution_max a owl:Class ; cif_:_name "_diffrn_reflns.resolution_max"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ Maximum resolution of the measured diffraction pattern. The fraction of unique reflections measured out to this angle is given by _diffrn.measured_fraction_theta_max."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns_resolution_max"@en, "diffrn_reflns_resolution_max"@en ; core:prefLabel "diffrn_reflns.resolution_max"@en . :_diffrn_reflns_theta_full a owl:Class ; cif_:_name "_diffrn_reflns.theta_full"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Theta angle at which the count of measured reflections is almost complete. The fraction of unique reflections measured out to this angle is given by _diffrn.measured_fraction_theta_full."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns_theta_full"@en, "diffrn_reflns_theta_full"@en ; core:prefLabel "diffrn_reflns.theta_full"@en . :_diffrn_reflns_theta_max a owl:Class ; cif_:_name "_diffrn_reflns.theta_max"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Maximum theta angle of the measured reflections."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns_theta_max"@en, "diffrn_reflns_theta_max"@en ; core:prefLabel "diffrn_reflns.theta_max"@en . :_diffrn_reflns_theta_min a owl:Class ; cif_:_name "_diffrn_reflns.theta_min"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Minimum theta angle of the measured reflections."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns_theta_min"@en, "diffrn_reflns_theta_min"@en ; core:prefLabel "diffrn_reflns.theta_min"@en . :_diffrn_reflns_transf_matrix_11 a owl:Class ; cif_:_name "_diffrn_reflns_transf_matrix.11"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns.transf_matrix[1][1]"@en, "_diffrn_reflns_transf_matrix_11"@en, "diffrn_reflns_transf_matrix_11"@en ; core:prefLabel "diffrn_reflns_transf_matrix.11"@en . :_diffrn_reflns_transf_matrix_12 a owl:Class ; cif_:_name "_diffrn_reflns_transf_matrix.12"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns.transf_matrix[1][2]"@en, "_diffrn_reflns_transf_matrix_12"@en, "diffrn_reflns_transf_matrix_12"@en ; core:prefLabel "diffrn_reflns_transf_matrix.12"@en . :_diffrn_reflns_transf_matrix_13 a owl:Class ; cif_:_name "_diffrn_reflns_transf_matrix.13"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns.transf_matrix[1][3]"@en, "_diffrn_reflns_transf_matrix_13"@en, "diffrn_reflns_transf_matrix_13"@en ; core:prefLabel "diffrn_reflns_transf_matrix.13"@en . :_diffrn_reflns_transf_matrix_21 a owl:Class ; cif_:_name "_diffrn_reflns_transf_matrix.21"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns.transf_matrix[2][1]"@en, "_diffrn_reflns_transf_matrix_21"@en, "diffrn_reflns_transf_matrix_21"@en ; core:prefLabel "diffrn_reflns_transf_matrix.21"@en . :_diffrn_reflns_transf_matrix_22 a owl:Class ; cif_:_name "_diffrn_reflns_transf_matrix.22"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns.transf_matrix[2][2]"@en, "_diffrn_reflns_transf_matrix_22"@en, "diffrn_reflns_transf_matrix_22"@en ; core:prefLabel "diffrn_reflns_transf_matrix.22"@en . :_diffrn_reflns_transf_matrix_23 a owl:Class ; cif_:_name "_diffrn_reflns_transf_matrix.23"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns.transf_matrix[2][3]"@en, "_diffrn_reflns_transf_matrix_23"@en, "diffrn_reflns_transf_matrix_23"@en ; core:prefLabel "diffrn_reflns_transf_matrix.23"@en . :_diffrn_reflns_transf_matrix_31 a owl:Class ; cif_:_name "_diffrn_reflns_transf_matrix.31"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns.transf_matrix[3][1]"@en, "_diffrn_reflns_transf_matrix_31"@en, "diffrn_reflns_transf_matrix_31"@en ; core:prefLabel "diffrn_reflns_transf_matrix.31"@en . :_diffrn_reflns_transf_matrix_32 a owl:Class ; cif_:_name "_diffrn_reflns_transf_matrix.32"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns.transf_matrix[3][2]"@en, "_diffrn_reflns_transf_matrix_32"@en, "diffrn_reflns_transf_matrix_32"@en ; core:prefLabel "diffrn_reflns_transf_matrix.32"@en . :_diffrn_reflns_transf_matrix_33 a owl:Class ; cif_:_name "_diffrn_reflns_transf_matrix.33"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_reflns.transf_matrix[3][3]"@en, "_diffrn_reflns_transf_matrix_33"@en, "diffrn_reflns_transf_matrix_33"@en ; core:prefLabel "diffrn_reflns_transf_matrix.33"@en . :_diffrn_reflns_transf_matrix_TIJ a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_diffrn_reflns_transf_matrix.TIJ"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Elements of the matrix used to transform the diffraction reflection indices _diffrn_refln.hkl into the _refln.hkl indices. |11 12 13| (h k l) diffraction |21 22 23| = (h' k' l') |31 32 33|"""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "diffrn_reflns_transf_matrix_TIJ"@en ; core:prefLabel "diffrn_reflns_transf_matrix.TIJ"@en . :_diffrn_scale_group_I_net a owl:Class ; cif_:_name "_diffrn_scale_group.I_net"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Scale for a specific measurement group of reflections. Is multiplied with the net intensity to place all intensities on a common scale."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_scale_group_I_net"@en, "diffrn_scale_group_I_net"@en ; core:prefLabel "diffrn_scale_group.I_net"@en . :_diffrn_scale_group_code a owl:Class ; cif_:_name "_diffrn_scale_group.code"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "1"@en, "2"@en, "3"@en, "A"@en, "B"@en, "c1"@en, "c2"@en, "c3"@en, "s1"@en ; rdfs:comment """ Code identifying a specific scale group of reflections (e.g. for multi-film or multi-crystal data). The code must match a _diffrn_refln.scale_group_code in the DIFFRN_REFLN list."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_diffrn_scale_group_code"@en, "diffrn_scale_group_code"@en ; core:prefLabel "diffrn_scale_group.code"@en . :_diffrn_source_beamline a owl:Class ; cif_:_name "_diffrn_source.beamline"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "1"@en, "9"@en, "I"@en ; rdfs:comment """ The name of the beamline at the synchrotron or other large-scale experimental facility at which the experiment was conducted."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "diffrn_source_beamline"@en ; core:prefLabel "diffrn_source.beamline"@en . :_diffrn_source_current a owl:Class ; cif_:_name "_diffrn_source.current"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "milliamperes"^^xsd:string ; rdfs:comment """ Generator current at which the radiation source device was operated."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_source_current"@en, "diffrn_source_current"@en ; core:prefLabel "diffrn_source.current"@en . :_diffrn_source_description a owl:Class ; cif_:_name "_diffrn_source.description"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The general class of the source of radiation. This is deprecated. Use _diffrn_source.device and _diffrn_source.details."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_radiation_source"@en, "_diffrn_source"@en, "_diffrn_source.source"@en, "diffrn_source_description"@en ; core:prefLabel "diffrn_source.description"@en . :_diffrn_source_details a owl:Class ; cif_:_name "_diffrn_source.details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ A description of special aspects of the source not covered by other datanames."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_source_details"@en, "diffrn_source_details"@en ; core:prefLabel "diffrn_source.details"@en . :_diffrn_source_device a owl:Class ; cif_:_name "_diffrn_source.device"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Enumerated code for the device providing the source of radiation."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "diffrn_source_device"@en ; core:prefLabel "diffrn_source.device"@en . :_diffrn_source_facility a owl:Class ; cif_:_name "_diffrn_source.facility"^^xsd:string ; cif_:_type cif_:Text ; cif_:example ""@en, "D"@en, "L"@en, "S"@en, "a"@en, "c"@en, "d"@en, "e"@en, "g"@en, "h"@en, "i"@en, "m"@en, "n"@en, "o"@en, "r"@en, "t"@en, "u"@en ; rdfs:comment """ The name of the synchrotron or other large-scale experimental facility at which the experiment was conducted. Names should conform to the spelling and format used in the 'Light Sources of the World' listing of lightsources.org (https://lightsources.org/lightsources-of-the-world/)"""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "diffrn_source_facility"@en ; core:prefLabel "diffrn_source.facility"@en . :_diffrn_source_make a owl:Class ; cif_:_name "_diffrn_source.make"^^xsd:string ; cif_:_type cif_:Text ; cif_:example ""@en, "-"@en, "0"@en, "1"@en, "2"@en, "5"@en, "7"@en, "R"@en, "U"@en, "a"@en, "g"@en, "i"@en, "k"@en, "u"@en ; rdfs:comment """ Description of the make, model or name of the source device. Large scale facilities should use _diffrn_source.facility_name and _diffrn_source.beamline_name to identify the source of radiation."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_source.type"@en, "_diffrn_source_make"@en, "_diffrn_source_type"@en, "diffrn_source_make"@en ; core:prefLabel "diffrn_source.make"@en . :_diffrn_source_power a owl:Class ; cif_:_name "_diffrn_source.power"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kilowatts"^^xsd:string ; rdfs:comment "Generator power at which the radiation source device was operated."@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_source_power"@en, "diffrn_source_power"@en ; core:prefLabel "diffrn_source.power"@en . :_diffrn_source_size a owl:Class ; cif_:_name "_diffrn_source.size"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "8mm x 0.4 mm fine-focus"@en, "broad focus"@en ; rdfs:comment """ Description of the collimated source beam as viewed from the sample."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_source_size"@en, "diffrn_source_size"@en ; core:prefLabel "diffrn_source.size"@en . :_diffrn_source_take_off_angle a owl:Class ; cif_:_name "_diffrn_source.take_off_angle"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ The complement of the angle in degrees between the normal to the surface of the X-ray tube target and the primary X-ray beam for beams generated by traditional X-ray tubes."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_source.take-off_angle"@en, "_diffrn_source_take-off_angle"@en, "diffrn_source_take_off_angle"@en ; core:prefLabel "diffrn_source.take_off_angle"@en . :_diffrn_source_target a owl:Class ; cif_:_name "_diffrn_source.target"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Chemical element symbol for the radiation source target (usually the anode). This can be used also for spallation sources."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_diffrn_source_target"@en, "diffrn_source_target"@en ; core:prefLabel "diffrn_source.target"@en . :_diffrn_source_voltage a owl:Class ; cif_:_name "_diffrn_source.voltage"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kilovolts"^^xsd:string ; rdfs:comment """ Generator voltage at which the radiation source device was operated."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_source_voltage"@en, "diffrn_source_voltage"@en ; core:prefLabel "diffrn_source.voltage"@en . :_diffrn_special_details a owl:Class ; cif_:_name "_diffrn.special_details"^^xsd:string ; cif_:_type cif_:Text ; cif_:example """ The results may not be entirely reliable as the measurement was made during a heat wave when the air-conditioning had failed."""@en ; rdfs:comment """ Special details of the diffraction measurement process. Should include information about source instability, crystal motion, degradation, etc."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn.details"@en, "_diffrn_special_details"@en, "diffrn_special_details"@en ; core:prefLabel "diffrn.special_details"@en . :_diffrn_standard_decay_percent a owl:Class ; cif_:_name "_diffrn_standard.decay_percent"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; cif_:example "-1(1)"@en, "0.0(2)"@en, "0.5(1)"@en, "change in standards between 0.6% decay and 0.6% rise."@en, "change in standards between 2% decay and 4% rise"@en, "represents a decay between 0.2% and 0.8%"@en ; rdfs:comment """ The percentage decrease in the mean of the intensities for the standard reflections at the start to the finish of the measurement process. This value affords a measure of the overall decay in crystal quality during measurement. Negative values only occur in exceptional instances where the final intensities are greater than the initial ones. If no measurable decay has occurred, the standard uncertainty should be quoted to indicate the maximum possible value the decay might have. A range of 3 standard uncertainties is considered possible. Thus 0.0(1) would indicate a decay of less than 0.3% or an enhancement of less than 0.3%."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_standards.decay_%"@en, "_diffrn_standards_decay_%"@en, "_diffrn_standards_decay_percent"@en, "diffrn_standard_decay_percent"@en ; core:prefLabel "diffrn_standard.decay_percent"@en . :_diffrn_standard_interval_count a owl:Class ; cif_:_name "_diffrn_standard.interval_count"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Reflection count between the standard reflection measurements."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_standards.interval_count"@en, "_diffrn_standards_interval_count"@en, "diffrn_standard_interval_count"@en ; core:prefLabel "diffrn_standard.interval_count"@en . :_diffrn_standard_interval_time a owl:Class ; cif_:_name "_diffrn_standard.interval_time"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "minutes"^^xsd:string ; rdfs:comment """ Time between the standard reflection measurements."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_standards.interval_time"@en, "_diffrn_standards_interval_time"@en, "diffrn_standard_interval_time"@en ; core:prefLabel "diffrn_standard.interval_time"@en . :_diffrn_standard_number a owl:Class ; cif_:_name "_diffrn_standard.number"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Number of unique standard reflections used in measurements."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_standards.number"@en, "_diffrn_standards_number"@en, "diffrn_standard_number"@en ; core:prefLabel "diffrn_standard.number"@en . :_diffrn_standard_refln_code a owl:Class ; cif_:_name "_diffrn_standard_refln.code"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "s1"@en ; rdfs:comment """ Code identifying a standard reflection used to monitor source intensity variations or crystal degradation or movement during data collection."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_diffrn_standard_refln.diffrn_id"@en, "_diffrn_standard_refln_code"@en, "diffrn_standard_refln_code"@en ; core:prefLabel "diffrn_standard_refln.code"@en . :_diffrn_standard_refln_hkl a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_diffrn_standard_refln.hkl"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Miller indices of a standard reflection."""@en ; rdfs:subClassOf :Shape3IntegerMatrix ; core:altLabel "diffrn_standard_refln_hkl"@en ; core:prefLabel "diffrn_standard_refln.hkl"@en . :_diffrn_standard_refln_index_h a owl:Class ; cif_:_name "_diffrn_standard_refln.index_h"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_standard_refln_index_h"@en, "diffrn_standard_refln_index_h"@en ; core:prefLabel "diffrn_standard_refln.index_h"@en . :_diffrn_standard_refln_index_k a owl:Class ; cif_:_name "_diffrn_standard_refln.index_k"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_standard_refln_index_k"@en, "diffrn_standard_refln_index_k"@en ; core:prefLabel "diffrn_standard_refln.index_k"@en . :_diffrn_standard_refln_index_l a owl:Class ; cif_:_name "_diffrn_standard_refln.index_l"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_diffrn_standard_refln_index_l"@en, "diffrn_standard_refln_index_l"@en ; core:prefLabel "diffrn_standard_refln.index_l"@en . :_diffrn_standard_scale_su_average a owl:Class ; cif_:_name "_diffrn_standard.scale_su_average"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The average standard uncertainty of the individual standard scales applied to the intensity data."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_diffrn_standards.scale_sigma"@en, "_diffrn_standards.scale_u"@en, "_diffrn_standards_scale_sigma"@en, "_diffrn_standards_scale_u"@en, "diffrn_standard_scale_su_average"@en ; core:prefLabel "diffrn_standard.scale_su_average"@en . :_diffrn_symmetry_description a owl:Class ; cif_:_name "_diffrn.symmetry_description"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Recorded diffraction point symmetry, systematic absences and possible space group(s) or superspace group(s) compatible with these."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_diffrn_symmetry_description"@en, "diffrn_symmetry_description"@en ; core:prefLabel "diffrn.symmetry_description"@en . :_display_colour_RGB a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_display_colour.RGB"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The red-green-blue intensities, bases 256, for each colour code."""@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom cif_:Integer ], cif_:List ; core:altLabel "display_colour_RGB"@en ; core:prefLabel "display_colour.RGB"@en . :_display_colour_blue a owl:Class ; cif_:_name "_display_colour.blue"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Integer value between 0 and 255 giving the intensity of a specific colour component (red, green or blue) for the RGB display colour code."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "display_colour_blue"@en ; core:prefLabel "display_colour.blue"@en . :_display_colour_green a owl:Class ; cif_:_name "_display_colour.green"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Integer value between 0 and 255 giving the intensity of a specific colour component (red, green or blue) for the RGB display colour code."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "display_colour_green"@en ; core:prefLabel "display_colour.green"@en . :_display_colour_hue a owl:Class ; cif_:_name "_display_colour.hue"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Colour hue as an enumerated code."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "display_colour_hue"@en ; core:prefLabel "display_colour.hue"@en . :_display_colour_red a owl:Class ; cif_:_name "_display_colour.red"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Integer value between 0 and 255 giving the intensity of a specific colour component (red, green or blue) for the RGB display colour code."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "display_colour_red"@en ; core:prefLabel "display_colour.red"@en . :_exptl_absorpt_coefficient_mu a owl:Class ; cif_:_name "_exptl_absorpt.coefficient_mu"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_millimetres"^^xsd:string ; rdfs:comment """ Absorption coefficient mu calculated from the atomic content of the cell, the density and the radiation wavelength."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl.absorpt_coefficient_mu"@en, "_exptl_absorpt_coefficient_mu"@en, "exptl_absorpt_coefficient_mu"@en ; core:prefLabel "exptl_absorpt.coefficient_mu"@en . :_exptl_absorpt_correction_T_max a owl:Class ; cif_:_name "_exptl_absorpt.correction_T_max"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Maximum transmission factor for the crystal and radiation applied to the measured intensities, it includes the correction for absorption by the specimen mount and diffractometer as well as by the specimen itself. These values give the transmission (T) factor by which measured intensities have been REDUCED due to absorption. Sometimes referred to as absorption correction A or 1/A* (see "Crystal Structure Analysis for Chemists and Biologists" by J.P. Glusker et al., Wiley)"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl.absorpt_correction_T_max"@en, "_exptl_absorpt_correction_T_max"@en, "exptl_absorpt_correction_T_max"@en ; core:prefLabel "exptl_absorpt.correction_T_max"@en . :_exptl_absorpt_correction_T_min a owl:Class ; cif_:_name "_exptl_absorpt.correction_T_min"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Maximum transmission factor for the crystal and radiation applied to the measured intensities, it includes the correction for absorption by the specimen mount and diffractometer as well as by the specimen itself. These values give the transmission (T) factor by which measured intensities have been REDUCED due to absorption. Sometimes referred to as absorption correction A ori 1/A* (see "Crystal Structure Analysis for Chemists and Biologists" by J.P. Glusker et al., Wiley)"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl.absorpt_correction_T_min"@en, "_exptl_absorpt_correction_T_min"@en, "exptl_absorpt_correction_T_min"@en ; core:prefLabel "exptl_absorpt.correction_T_min"@en . :_exptl_absorpt_correction_type a owl:Class ; cif_:_name "_exptl_absorpt.correction_type"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Code identifying the absorption correction type and method. The 'empirical' approach should NOT be used if more detailed information on the crystal shape is available."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_exptl.absorpt_correction_type"@en, "_exptl_absorpt_correction_type"@en, "exptl_absorpt_correction_type"@en ; core:prefLabel "exptl_absorpt.correction_type"@en . :_exptl_absorpt_process_details a owl:Class ; cif_:_name "_exptl_absorpt.process_details"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "(North, Phillips & Mathews, 1968)"@en, "MolEN (Fair, 1990)"@en, "Tompa analytical"@en ; rdfs:comment """ Description of the absorption correction process applied to the measured intensities. A literature reference should be supplied for psi-scan or multi-scan techniques."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_exptl.absorpt_process_details"@en, "_exptl_absorpt_process_details"@en, "exptl_absorpt_process_details"@en ; core:prefLabel "exptl_absorpt.process_details"@en . :_exptl_crystal_F_000 a owl:Class ; cif_:_name "_exptl_crystal.F_000"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Number of electrons in the crystal unit cell contributing to F(000). It may contain dispersion contributions, and is calculated as F(000) = [ (sum f~r~)^2^ + (sum f~i~)^2^ ]^1/2^ f~r~ = real part of the scattering factors at theta = 0 f~i~ = imaginary part of the scattering factors at theta = 0 the sum is taken over each atom in the unit cell For X-rays, non-dispersive F(000) is a positive number and counts the effective number of electrons in the unit cell; for neutrons, non-dispersive F(000) (which may be negative) counts the total nuclear scattering power in the unit cell. See http://reference.iucr.org/dictionary/F(000)"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_F_000"@en, "exptl_crystal_F_000"@en ; core:prefLabel "exptl_crystal.F_000"@en . :_exptl_crystal_appearance_general a owl:Class ; cif_:_name "_exptl_crystal_appearance.general"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Appearance of the crystal as prescribed state codes. Note that 'dull' and 'clear' should no longer be used."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_exptl_crystal.colour_lustre"@en, "_exptl_crystal_colour_lustre"@en, "exptl_crystal_appearance_general"@en ; core:prefLabel "exptl_crystal_appearance.general"@en . :_exptl_crystal_appearance_hue a owl:Class ; cif_:_name "_exptl_crystal_appearance.hue"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Colour hue of the crystals as prescribed state codes."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_exptl_crystal.colour_primary"@en, "_exptl_crystal_colour_primary"@en, "exptl_crystal_appearance_hue"@en ; core:prefLabel "exptl_crystal_appearance.hue"@en . :_exptl_crystal_appearance_intensity a owl:Class ; cif_:_name "_exptl_crystal_appearance.intensity"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Colour intensity of the crystal as prescribed state codes."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_exptl_crystal.colour_modifier"@en, "_exptl_crystal_colour_modifier"@en, "exptl_crystal_appearance_intensity"@en ; core:prefLabel "exptl_crystal_appearance.intensity"@en . :_exptl_crystal_colour a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_exptl_crystal.colour"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "[translucent, pale, green]"@en ; rdfs:comment """ Colour description of a crystal as a list of the allowed exptl_crystal_appearance states for general, intensity and hue."""@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom cif_:Code ], cif_:List ; core:altLabel "_exptl_crystal_colour"@en, "exptl_crystal_colour"@en ; core:prefLabel "exptl_crystal.colour"@en . :_exptl_crystal_density_diffrn a owl:Class ; cif_:_name "_exptl_crystal.density_diffrn"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "megagrams_per_metre_cubed"^^xsd:string ; rdfs:comment """ Crystal density calculated from crystal unit cell and atomic content."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_density_diffrn"@en, "exptl_crystal_density_diffrn"@en ; core:prefLabel "exptl_crystal.density_diffrn"@en . :_exptl_crystal_density_meas a owl:Class ; cif_:_name "_exptl_crystal.density_meas"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "megagrams_per_metre_cubed"^^xsd:string ; rdfs:comment """ Crystal density measured using standard chemical and physical methods."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_density_meas"@en, "exptl_crystal_density_meas"@en ; core:prefLabel "exptl_crystal.density_meas"@en . :_exptl_crystal_density_meas_gt a owl:Class ; cif_:_name "_exptl_crystal.density_meas_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "megagrams_per_metre_cubed"^^xsd:string ; rdfs:comment """ The value above which the density measured using standard chemical and physical methods lies. This item is used only when _exptl_crystal.density_meas cannot be employed. It is intended for use in reporting information in databases and archives which would be misleading if reported otherwise."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_density_meas_gt"@en, "exptl_crystal_density_meas_gt"@en ; core:prefLabel "exptl_crystal.density_meas_gt"@en . :_exptl_crystal_density_meas_lt a owl:Class ; cif_:_name "_exptl_crystal.density_meas_lt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "megagrams_per_metre_cubed"^^xsd:string ; rdfs:comment """ The value below which the density measured using standard chemical and physical methods lies. This item is used only when _exptl_crystal.density_meas cannot be employed. It is intended for use in reporting information in databases and archives which would be misleading if reported otherwise."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_density_meas_lt"@en, "exptl_crystal_density_meas_lt"@en ; core:prefLabel "exptl_crystal.density_meas_lt"@en . :_exptl_crystal_density_meas_su a owl:Class ; cif_:_name "_exptl_crystal.density_meas_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "megagrams_per_metre_cubed"^^xsd:string ; rdfs:comment """ Standard uncertainty of the crystal density measured using standard chemical and physical methods."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal.density_meas_esd"@en, "_exptl_crystal_density_meas_su"@en, "exptl_crystal_density_meas_su"@en ; core:prefLabel "exptl_crystal.density_meas_su"@en . :_exptl_crystal_density_meas_temp a owl:Class ; cif_:_name "_exptl_crystal.density_meas_temp"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ Temperature at which _exptl_crystal.density_meas was determined."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_density_meas_temp"@en, "exptl_crystal_density_meas_temp"@en ; core:prefLabel "exptl_crystal.density_meas_temp"@en . :_exptl_crystal_density_meas_temp_gt a owl:Class ; cif_:_name "_exptl_crystal.density_meas_temp_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ Temperature above which the measured density was determined. This item is used only when _exptl_crystal.density_meas_temp cannot be employed. It is intended for use in reporting values from databases which would be misleading if reported otherwise."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_density_meas_temp_gt"@en, "exptl_crystal_density_meas_temp_gt"@en ; core:prefLabel "exptl_crystal.density_meas_temp_gt"@en . :_exptl_crystal_density_meas_temp_lt a owl:Class ; cif_:_name "_exptl_crystal.density_meas_temp_lt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ Temperature below which the measured density was determined. This item is used only when _exptl_crystal.density_meas_temp cannot be employed. It is intended for use in reporting values from databases which would be misleading if reported otherwise."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_density_meas_temp_lt"@en, "exptl_crystal_density_meas_temp_lt"@en ; core:prefLabel "exptl_crystal.density_meas_temp_lt"@en . :_exptl_crystal_density_meas_temp_su a owl:Class ; cif_:_name "_exptl_crystal.density_meas_temp_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "kelvins"^^xsd:string ; rdfs:comment """ Standard uncertainty of the temperature at which _exptl_crystal.density_meas was determined."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal.density_meas_temp_esd"@en, "_exptl_crystal_density_meas_temp_su"@en, "exptl_crystal_density_meas_temp_su"@en ; core:prefLabel "exptl_crystal.density_meas_temp_su"@en . :_exptl_crystal_density_method a owl:Class ; cif_:_name "_exptl_crystal.density_method"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "flotation in aqueous KI"@en ; rdfs:comment """ Description of method used to measure _exptl_crystal.density_meas."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_exptl_crystal_density_method"@en, "exptl_crystal_density_method"@en ; core:prefLabel "exptl_crystal.density_method"@en . :_exptl_crystal_description a owl:Class ; cif_:_name "_exptl_crystal.description"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Description of the quality and habit of the crystal. The crystal dimensions should be provided using the exptl_crystal.size_* datanames."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_exptl_crystal_description"@en, "exptl_crystal_description"@en ; core:prefLabel "exptl_crystal.description"@en . :_exptl_crystal_face_diffr_chi a owl:Class ; cif_:_name "_exptl_crystal_face.diffr_chi"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle setting when the perpendicular to the specified crystal face is aligned along a specified direction (e.g. the bisector of the incident and reflected beams in an optical goniometer."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_face_diffr_chi"@en, "exptl_crystal_face_diffr_chi"@en ; core:prefLabel "exptl_crystal_face.diffr_chi"@en . :_exptl_crystal_face_diffr_kappa a owl:Class ; cif_:_name "_exptl_crystal_face.diffr_kappa"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle setting when the perpendicular to the specified crystal face is aligned along a specified direction (e.g. the bisector of the incident and reflected beams in an optical goniometer."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_face_diffr_kappa"@en, "exptl_crystal_face_diffr_kappa"@en ; core:prefLabel "exptl_crystal_face.diffr_kappa"@en . :_exptl_crystal_face_diffr_phi a owl:Class ; cif_:_name "_exptl_crystal_face.diffr_phi"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle setting when the perpendicular to the specified crystal face is aligned along a specified direction (e.g. the bisector of the incident and reflected beams in an optical goniometer."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_face_diffr_phi"@en, "exptl_crystal_face_diffr_phi"@en ; core:prefLabel "exptl_crystal_face.diffr_phi"@en . :_exptl_crystal_face_diffr_psi a owl:Class ; cif_:_name "_exptl_crystal_face.diffr_psi"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Diffractometer angle setting when the perpendicular to the specified crystal face is aligned along a specified direction (e.g. the bisector of the incident and reflected beams in an optical goniometer."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_face_diffr_psi"@en, "exptl_crystal_face_diffr_psi"@en ; core:prefLabel "exptl_crystal_face.diffr_psi"@en . :_exptl_crystal_face_hkl a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_exptl_crystal_face.hkl"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Miller indices of the crystal face."""@en ; rdfs:subClassOf :Shape3IntegerMatrix ; core:altLabel "exptl_crystal_face_hkl"@en ; core:prefLabel "exptl_crystal_face.hkl"@en . :_exptl_crystal_face_index_h a owl:Class ; cif_:_name "_exptl_crystal_face.index_h"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_exptl_crystal_face_index_h"@en, "exptl_crystal_face_index_h"@en ; core:prefLabel "exptl_crystal_face.index_h"@en . :_exptl_crystal_face_index_k a owl:Class ; cif_:_name "_exptl_crystal_face.index_k"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_exptl_crystal_face_index_k"@en, "exptl_crystal_face_index_k"@en ; core:prefLabel "exptl_crystal_face.index_k"@en . :_exptl_crystal_face_index_l a owl:Class ; cif_:_name "_exptl_crystal_face.index_l"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_exptl_crystal_face_index_l"@en, "exptl_crystal_face_index_l"@en ; core:prefLabel "exptl_crystal_face.index_l"@en . :_exptl_crystal_face_perp_dist a owl:Class ; cif_:_name "_exptl_crystal_face.perp_dist"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "millimetres"^^xsd:string ; rdfs:comment """ Perpendicular distance of face to the centre of rotation of the crystal."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_face_perp_dist"@en, "exptl_crystal_face_perp_dist"@en ; core:prefLabel "exptl_crystal_face.perp_dist"@en . :_exptl_crystal_id a owl:Class ; cif_:_name "_exptl_crystal.id"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code identifying a crystal."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_exptl_crystal_id"@en, "exptl_crystal_id"@en ; core:prefLabel "exptl_crystal.id"@en . :_exptl_crystal_preparation a owl:Class ; cif_:_name "_exptl_crystal.preparation"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "mounted in an argon-filled quartz capillary"@en ; rdfs:comment """ Details of crystal growth and preparation of the crystals (e.g. mounting) prior to the intensity measurements."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_exptl_crystal_preparation"@en, "exptl_crystal_preparation"@en ; core:prefLabel "exptl_crystal.preparation"@en . :_exptl_crystal_pressure_history a owl:Class ; cif_:_name "_exptl_crystal.pressure_history"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Details concerning the pressure history of the crystals."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_exptl_crystal_pressure_history"@en, "exptl_crystal_pressure_history"@en ; core:prefLabel "exptl_crystal.pressure_history"@en . :_exptl_crystal_recrystallization_method a owl:Class ; cif_:_name "_exptl_crystal.recrystallization_method"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Method used to recrystallize the sample. Sufficient details should be given for the procedure to be repeated. Temperatures, solvents, flux or carrier gases with concentrations or pressures and ambient atmosphere details should be given."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_exptl_crystal_recrystallization_method"@en, "exptl_crystal_recrystallization_method"@en ; core:prefLabel "exptl_crystal.recrystallization_method"@en . :_exptl_crystal_size_length a owl:Class ; cif_:_name "_exptl_crystal.size_length"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "millimetres"^^xsd:string ; rdfs:comment """ The length of needle/cylindrical crystals."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_size_length"@en, "exptl_crystal_size_length"@en ; core:prefLabel "exptl_crystal.size_length"@en . :_exptl_crystal_size_max a owl:Class ; cif_:_name "_exptl_crystal.size_max"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "millimetres"^^xsd:string ; rdfs:comment """ The maximum dimension of a crystal."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_size_max"@en, "exptl_crystal_size_max"@en ; core:prefLabel "exptl_crystal.size_max"@en . :_exptl_crystal_size_mid a owl:Class ; cif_:_name "_exptl_crystal.size_mid"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "millimetres"^^xsd:string ; rdfs:comment """ The median dimension of a crystal."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_size_mid"@en, "exptl_crystal_size_mid"@en ; core:prefLabel "exptl_crystal.size_mid"@en . :_exptl_crystal_size_min a owl:Class ; cif_:_name "_exptl_crystal.size_min"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "millimetres"^^xsd:string ; rdfs:comment """ The minimum dimension of a crystal."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_size_min"@en, "exptl_crystal_size_min"@en ; core:prefLabel "exptl_crystal.size_min"@en . :_exptl_crystal_size_rad a owl:Class ; cif_:_name "_exptl_crystal.size_rad"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "millimetres"^^xsd:string ; rdfs:comment """ The radius of a spherical or cylindrical crystal."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_crystal_size_rad"@en, "exptl_crystal_size_rad"@en ; core:prefLabel "exptl_crystal.size_rad"@en . :_exptl_crystal_thermal_history a owl:Class ; cif_:_name "_exptl_crystal.thermal_history"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Details concerning the thermal history of the crystals."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_exptl_crystal_thermal_history"@en, "exptl_crystal_thermal_history"@en ; core:prefLabel "exptl_crystal.thermal_history"@en . :_exptl_crystals_number a owl:Class ; cif_:_name "_exptl.crystals_number"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Total number of crystals used in the measurement of intensities."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_exptl_crystals_number"@en, "exptl_crystals_number"@en ; core:prefLabel "exptl.crystals_number"@en . :_exptl_method a owl:Class ; cif_:_name "_exptl.method"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "fiber electron diffraction"@en, "fiber neutron diffraction"@en, "fiber x-ray diffraction"@en, "other"@en, "single-crystal electron diffraction"@en, "single-crystal joint x-ray and electron diffraction"@en, "single-crystal joint x-ray and neutron diffraction"@en, "single-crystal neutron diffraction"@en, "single-crystal x-ray diffraction"@en, "solid-state nmr"@en, "solution nmr"@en, "theoretical model"@en ; rdfs:comment """ The method used in the experiment."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "exptl_method"@en ; core:prefLabel "exptl.method"@en . :_exptl_method_details a owl:Class ; cif_:_name "_exptl.method_details"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "29 structures"@en, "minimized average structure"@en ; rdfs:comment """ A description of special aspects of the experimental method."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "exptl_method_details"@en ; core:prefLabel "exptl.method_details"@en . :_exptl_special_details a owl:Class ; cif_:_name "_exptl.special_details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Details of the experiment prior to intensity measurement. See also _exptl_crystal.preparation"""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_exptl.details"@en, "_exptl_special_details"@en, "exptl_special_details"@en ; core:prefLabel "exptl.special_details"@en . :_exptl_transmission_factor_max a owl:Class ; cif_:_name "_exptl.transmission_factor_max"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The calculated maximum value of the transmission factor for the specimen. Its value does not include the effects of absorption in the specimen mount. The presence of this item does not imply that the structure factors have been corrected for absorption. For the applied correction see _exptl_absorpt.correction_T_max."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_transmission_factor_max"@en, "exptl_transmission_factor_max"@en ; core:prefLabel "exptl.transmission_factor_max"@en . :_exptl_transmission_factor_min a owl:Class ; cif_:_name "_exptl.transmission_factor_min"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The calculated minimum value of the transmission factor for the specimen. Its value does not include the effects of absorption in the specimen mount. The presence of this item does not imply that the structure factors have been corrected for absorption. For the applied correction see _exptl_absorpt.correction_T_min."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_exptl_transmission_factor_min"@en, "exptl_transmission_factor_min"@en ; core:prefLabel "exptl.transmission_factor_min"@en . :_function_AtomType a owl:Class ; cif_:_name "_function.AtomType"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ The function r = AtomType( s ) returns an atom type symbol (element name) from the atom site label."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "function_AtomType"@en ; core:prefLabel "function.AtomType"@en . :_function_Closest a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_function.Closest"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The function d = Closest( v, w ) returns the cell translation vector required to obtain the closest cell-translated occurrence of the vector V to the vector W."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "function_Closest"@en ; core:prefLabel "function.Closest"@en . :_function_SeitzFromJones a owl:Class ; cif_:_dimension "[4,4]"^^xsd:string ; cif_:_name "_function.SeitzFromJones"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The function s = SeitzFromJones( j ) returns a 4x4 Seitz matrix from the Jones faithful representation of the equivalent position which is a character string e.g. 1/2+x,-x,z."""@en ; rdfs:subClassOf :Shape4x4RealMatrix ; core:altLabel "function_SeitzFromJones"@en ; core:prefLabel "function.SeitzFromJones"@en . :_function_SymEquiv a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_function.SymEquiv"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The function xyz' = SymEquiv( symop, xyz ) returns a fractional coordinate vector xyz' which is input vector xyz transformed by the input symop 'n_pqr' applied to the symmetry equivalent matrix extracted from the category space_group_symop."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "function_SymEquiv"@en ; core:prefLabel "function.SymEquiv"@en . :_function_SymKey a owl:Class ; cif_:_name "_function.SymKey"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The function m = SymKey( s ) returns an integer index to the Seitz matrices from the character string of the form 'n_pqr'."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "function_SymKey"@en ; core:prefLabel "function.SymKey"@en . :_function_SymLat a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_function.SymLat"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The function v = SymLat( s ) returns a vector of the cell translations applied to the coordinates from the character string of the form 'n_pqr'. i.e. p-5, q-5, r-5."""@en ; rdfs:subClassOf :Shape3IntegerMatrix ; core:altLabel "function_SymLat"@en ; core:prefLabel "function.SymLat"@en . :_function_Symop a owl:Class ; cif_:_name "_function.Symop"^^xsd:string ; cif_:_type cif_:Symop ; rdfs:comment """ The function s = Symop( n, t ) returns a character string of the form 'n_pqr' where n is the symmetry equivalent site number and [p,q,r] is the cell translation vector PLUS [5,5,5]."""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "function_Symop"@en ; core:prefLabel "function.Symop"@en . :_geom_angle_atom_site_label_1 a owl:Class ; cif_:_name "_geom_angle.atom_site_label_1"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_geom_angle.atom_site_id_1"@en, "_geom_angle_atom_site_label_1"@en, "geom_angle_atom_site_label_1"@en ; core:prefLabel "geom_angle.atom_site_label_1"@en . :_geom_angle_atom_site_label_2 a owl:Class ; cif_:_name "_geom_angle.atom_site_label_2"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ The unique identifier for the vertex atom of the angle."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_geom_angle.atom_site_id_2"@en, "_geom_angle_atom_site_label_2"@en, "geom_angle_atom_site_label_2"@en ; core:prefLabel "geom_angle.atom_site_label_2"@en . :_geom_angle_atom_site_label_3 a owl:Class ; cif_:_name "_geom_angle.atom_site_label_3"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_geom_angle.atom_site_id_3"@en, "_geom_angle_atom_site_label_3"@en, "geom_angle_atom_site_label_3"@en ; core:prefLabel "geom_angle.atom_site_label_3"@en . :_geom_angle_distances a owl:Class ; cif_:_dimension "[2]"^^xsd:string ; cif_:_name "_geom_angle.distances"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The pair of distances between sites 1 - 2 and 2 - 3."""@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom cif_:Real ], cif_:List ; core:altLabel "geom_angle_distances"@en ; core:prefLabel "geom_angle.distances"@en . :_geom_angle_id a owl:Class ; cif_:_name "_geom_angle.id"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ An arbitrary, unique identifier for the angle formed by the three atoms."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_geom_angle.id"@en, "geom_angle_id"@en ; core:prefLabel "geom_angle.id"@en . :_geom_angle_publ_flag a owl:Class ; cif_:_name "_geom_angle.publ_flag"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Code signals if the angle is referred to in a publication or should be placed in a table of significant angles."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_geom_angle_publ_flag"@en, "geom_angle_publ_flag"@en ; core:prefLabel "geom_angle.publ_flag"@en . :_geom_angle_site_symmetry_1 a owl:Class ; cif_:_name "_geom_angle.site_symmetry_1"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "_geom_angle_site_symmetry_1"@en, "geom_angle_site_symmetry_1"@en ; core:prefLabel "geom_angle.site_symmetry_1"@en . :_geom_angle_site_symmetry_2 a owl:Class ; cif_:_name "_geom_angle.site_symmetry_2"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "_geom_angle_site_symmetry_2"@en, "geom_angle_site_symmetry_2"@en ; core:prefLabel "geom_angle.site_symmetry_2"@en . :_geom_angle_site_symmetry_3 a owl:Class ; cif_:_name "_geom_angle.site_symmetry_3"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "_geom_angle_site_symmetry_3"@en, "geom_angle_site_symmetry_3"@en ; core:prefLabel "geom_angle.site_symmetry_3"@en . :_geom_angle_value a owl:Class ; cif_:_name "_geom_angle.value"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Angle defined by the atoms located at atom_site_x/site_symmetry_x for x = 1,2,3. The vertex atom is at site x = 2."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_angle"@en, "geom_angle_value"@en ; core:prefLabel "geom_angle.value"@en . :_geom_angle_value_su a owl:Class ; cif_:_name "_geom_angle.value_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Standard uncertainty of the angle defined by the sites identified by _geom_angle.id."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_angle.value_esd"@en, "_geom_angle_su"@en, "geom_angle_value_su"@en ; core:prefLabel "geom_angle.value_su"@en . :_geom_bond_atom_site_label_1 a owl:Class ; cif_:_name "_geom_bond.atom_site_label_1"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_geom_bond.atom_site_id_1"@en, "_geom_bond_atom_site_label_1"@en, "geom_bond_atom_site_label_1"@en ; core:prefLabel "geom_bond.atom_site_label_1"@en . :_geom_bond_atom_site_label_2 a owl:Class ; cif_:_name "_geom_bond.atom_site_label_2"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_geom_bond.atom_site_id_2"@en, "_geom_bond_atom_site_label_2"@en, "geom_bond_atom_site_label_2"@en ; core:prefLabel "geom_bond.atom_site_label_2"@en . :_geom_bond_distance a owl:Class ; cif_:_name "_geom_bond.distance"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Intramolecular bond distance between the sites identified by _geom_bond.id"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_bond.dist"@en, "_geom_bond_distance"@en, "geom_bond_distance"@en ; core:prefLabel "geom_bond.distance"@en . :_geom_bond_distance_incr a owl:Class ; cif_:_name "_geom.bond_distance_incr"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Increment added to the bond radii for the atomic species to specify the maximum permitted "bonded" distance between two atom sites."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "geom_bond_distance_incr"@en ; core:prefLabel "geom.bond_distance_incr"@en . :_geom_bond_distance_min a owl:Class ; cif_:_name "_geom.bond_distance_min"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Minimum permitted "bonded" distance between two atom sites."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "geom_bond_distance_min"@en ; core:prefLabel "geom.bond_distance_min"@en . :_geom_bond_distance_su a owl:Class ; cif_:_name "_geom_bond.distance_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Standard uncertainty of the intramolecular bond distance between the sites identified by _geom_bond.id."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_bond.dist_esd"@en, "_geom_bond_distance_su"@en, "geom_bond_distance_su"@en ; core:prefLabel "geom_bond.distance_su"@en . :_geom_bond_id a owl:Class ; cif_:_name "_geom_bond.id"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Unique identifier for the bond."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_geom_bond.id"@en, "geom_bond_id"@en ; core:prefLabel "geom_bond.id"@en . :_geom_bond_multiplicity a owl:Class ; cif_:_name "_geom_bond.multiplicity"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The number of times the given bond appears in the environment of the atoms labelled _geom_bond.atom_site_label_1. In cases where the full list of bonds is given, one of the series of equivalent bonds may be assigned the appropriate multiplicity while the others are assigned a value of 0."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_geom_bond_multiplicity"@en, "geom_bond_multiplicity"@en ; core:prefLabel "geom_bond.multiplicity"@en . :_geom_bond_publ_flag a owl:Class ; cif_:_name "_geom_bond.publ_flag"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ This code signals whether the angle is referred to in a publication or should be placed in a table of significant angles."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_geom_bond_publ_flag"@en, "geom_bond_publ_flag"@en ; core:prefLabel "geom_bond.publ_flag"@en . :_geom_bond_site_symmetry_1 a owl:Class ; cif_:_name "_geom_bond.site_symmetry_1"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "_geom_bond_site_symmetry_1"@en, "geom_bond_site_symmetry_1"@en ; core:prefLabel "geom_bond.site_symmetry_1"@en . :_geom_bond_site_symmetry_2 a owl:Class ; cif_:_name "_geom_bond.site_symmetry_2"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "_geom_bond_site_symmetry_2"@en, "geom_bond_site_symmetry_2"@en ; core:prefLabel "geom_bond.site_symmetry_2"@en . :_geom_bond_valence a owl:Class ; cif_:_name "_geom_bond.valence"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "electrons"^^xsd:string ; rdfs:comment """ Bond valence calculated from the bond distance."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_bond_valence"@en, "geom_bond_valence"@en ; core:prefLabel "geom_bond.valence"@en . :_geom_contact_atom_site_label_1 a owl:Class ; cif_:_name "_geom_contact.atom_site_label_1"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_geom_contact.atom_site_id_1"@en, "_geom_contact_atom_site_label_1"@en, "geom_contact_atom_site_label_1"@en ; core:prefLabel "geom_contact.atom_site_label_1"@en . :_geom_contact_atom_site_label_2 a owl:Class ; cif_:_name "_geom_contact.atom_site_label_2"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_geom_contact.atom_site_id_2"@en, "_geom_contact_atom_site_label_2"@en, "geom_contact_atom_site_label_2"@en ; core:prefLabel "geom_contact.atom_site_label_2"@en . :_geom_contact_distance a owl:Class ; cif_:_name "_geom_contact.distance"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Intermolecular distance between the atomic sites identified by _geom_contact.id"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_contact.dist"@en, "_geom_contact_distance"@en, "geom_contact_distance"@en ; core:prefLabel "geom_contact.distance"@en . :_geom_contact_distance_incr a owl:Class ; cif_:_name "_geom.contact_distance_incr"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Increment added to the bond radii for the atomic species to specify the maximum permitted "contact" distance between two "non-bonded" atom sites."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "geom_contact_distance_incr"@en ; core:prefLabel "geom.contact_distance_incr"@en . :_geom_contact_distance_min a owl:Class ; cif_:_name "_geom.contact_distance_min"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Minimum permitted "contact" distance between two "non-bonded" atom sites."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "geom_contact_distance_min"@en ; core:prefLabel "geom.contact_distance_min"@en . :_geom_contact_distance_su a owl:Class ; cif_:_name "_geom_contact.distance_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Standard uncertainty of the intermolecular distance between the atomic sites identified by _geom_contact.id."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_contact.dist_esd"@en, "_geom_contact_distance_su"@en, "geom_contact_distance_su"@en ; core:prefLabel "geom_contact.distance_su"@en . :_geom_contact_id a owl:Class ; cif_:_name "_geom_contact.id"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ An identifier for the contact that is unique within the loop."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_geom_contact.id"@en, "geom_contact_id"@en ; core:prefLabel "geom_contact.id"@en . :_geom_contact_publ_flag a owl:Class ; cif_:_name "_geom_contact.publ_flag"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ This code signals whether the contact distance is referred to in a publication or should be placed in a list of significant contact distances."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_geom_contact_publ_flag"@en, "geom_contact_publ_flag"@en ; core:prefLabel "geom_contact.publ_flag"@en . :_geom_contact_site_symmetry_1 a owl:Class ; cif_:_name "_geom_contact.site_symmetry_1"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "_geom_contact_site_symmetry_1"@en, "geom_contact_site_symmetry_1"@en ; core:prefLabel "geom_contact.site_symmetry_1"@en . :_geom_contact_site_symmetry_2 a owl:Class ; cif_:_name "_geom_contact.site_symmetry_2"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "_geom_contact_site_symmetry_2"@en, "geom_contact_site_symmetry_2"@en ; core:prefLabel "geom_contact.site_symmetry_2"@en . :_geom_hbond_angle_DHA a owl:Class ; cif_:_name "_geom_hbond.angle_DHA"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Angle subtended by the sites identified by _geom_hbond.id. The hydrogen at site H is at the apex of the angle."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_hbond_angle_DHA"@en, "geom_hbond_angle_DHA"@en ; core:prefLabel "geom_hbond.angle_DHA"@en . :_geom_hbond_angle_DHA_su a owl:Class ; cif_:_name "_geom_hbond.angle_DHA_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Standard uncertainty of the angle subtended by the sites identified by _geom_hbond.id. The hydrogen at site H is at the apex of the angle."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_hbond.angle_DHA_esd"@en, "_geom_hbond_angle_DHA_su"@en, "geom_hbond_angle_DHA_su"@en ; core:prefLabel "geom_hbond.angle_DHA_su"@en . :_geom_hbond_atom_site_label_A a owl:Class ; cif_:_name "_geom_hbond.atom_site_label_A"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_geom_hbond.atom_site_id_A"@en, "_geom_hbond_atom_site_label_A"@en, "geom_hbond_atom_site_label_A"@en ; core:prefLabel "geom_hbond.atom_site_label_A"@en . :_geom_hbond_atom_site_label_D a owl:Class ; cif_:_name "_geom_hbond.atom_site_label_D"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_geom_hbond.atom_site_id_D"@en, "_geom_hbond_atom_site_label_D"@en, "geom_hbond_atom_site_label_D"@en ; core:prefLabel "geom_hbond.atom_site_label_D"@en . :_geom_hbond_atom_site_label_H a owl:Class ; cif_:_name "_geom_hbond.atom_site_label_H"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_geom_hbond.atom_site_id_H"@en, "_geom_hbond_atom_site_label_H"@en, "geom_hbond_atom_site_label_H"@en ; core:prefLabel "geom_hbond.atom_site_label_H"@en . :_geom_hbond_distance_DA a owl:Class ; cif_:_name "_geom_hbond.distance_DA"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The set of data items which specify the distance between the three atom sites identified by _geom_hbond.id."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_hbond.dist_DA"@en, "_geom_hbond_distance_DA"@en, "geom_hbond_distance_DA"@en ; core:prefLabel "geom_hbond.distance_DA"@en . :_geom_hbond_distance_DA_su a owl:Class ; cif_:_name "_geom_hbond.distance_DA_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Standard uncertainty of the set of data items which specify the distance between the three atom sites identified by _geom_hbond.id."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_hbond.dist_DA_esd"@en, "_geom_hbond_distance_DA_su"@en, "geom_hbond_distance_DA_su"@en ; core:prefLabel "geom_hbond.distance_DA_su"@en . :_geom_hbond_distance_DH a owl:Class ; cif_:_name "_geom_hbond.distance_DH"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The set of data items which specify the distance between the three atom sites identified by _geom_hbond.id."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_hbond.dist_DH"@en, "_geom_hbond_distance_DH"@en, "geom_hbond_distance_DH"@en ; core:prefLabel "geom_hbond.distance_DH"@en . :_geom_hbond_distance_DH_su a owl:Class ; cif_:_name "_geom_hbond.distance_DH_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Standard uncertainty of the set of data items which specify the distance between the three atom sites identified by _geom_hbond.id."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_hbond.dist_DH_esd"@en, "_geom_hbond_distance_DH_su"@en, "geom_hbond_distance_DH_su"@en ; core:prefLabel "geom_hbond.distance_DH_su"@en . :_geom_hbond_distance_HA a owl:Class ; cif_:_name "_geom_hbond.distance_HA"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The set of data items which specify the distance between the three atom sites identified by _geom_hbond.id."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_hbond.dist_HA"@en, "_geom_hbond_distance_HA"@en, "geom_hbond_distance_HA"@en ; core:prefLabel "geom_hbond.distance_HA"@en . :_geom_hbond_distance_HA_su a owl:Class ; cif_:_name "_geom_hbond.distance_HA_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Standard uncertainty of the set of data items which specify the distance between the three atom sites identified by _geom_hbond.id."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_hbond.dist_HA_esd"@en, "_geom_hbond_distance_HA_su"@en, "geom_hbond_distance_HA_su"@en ; core:prefLabel "geom_hbond.distance_HA_su"@en . :_geom_hbond_id a owl:Class ; cif_:_name "_geom_hbond.id"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ An identifier for the hydrogen bond that is unique within the loop."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_geom_hbond.id"@en, "geom_hbond_id"@en ; core:prefLabel "geom_hbond.id"@en . :_geom_hbond_publ_flag a owl:Class ; cif_:_name "_geom_hbond.publ_flag"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ This code signals whether the hydrogen-bond information is referred to in a publication or should be placed in a table of significant hydrogen-bond geometry."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_geom_hbond_publ_flag"@en, "geom_hbond_publ_flag"@en ; core:prefLabel "geom_hbond.publ_flag"@en . :_geom_hbond_site_symmetry_A a owl:Class ; cif_:_name "_geom_hbond.site_symmetry_A"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "_geom_hbond_site_symmetry_A"@en, "geom_hbond_site_symmetry_A"@en ; core:prefLabel "geom_hbond.site_symmetry_A"@en . :_geom_hbond_site_symmetry_D a owl:Class ; cif_:_name "_geom_hbond.site_symmetry_D"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "_geom_hbond_site_symmetry_D"@en, "geom_hbond_site_symmetry_D"@en ; core:prefLabel "geom_hbond.site_symmetry_D"@en . :_geom_hbond_site_symmetry_H a owl:Class ; cif_:_name "_geom_hbond.site_symmetry_H"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "_geom_hbond_site_symmetry_H"@en, "geom_hbond_site_symmetry_H"@en ; core:prefLabel "geom_hbond.site_symmetry_H"@en . :_geom_special_details a owl:Class ; cif_:_name "_geom.special_details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Description of geometry information not covered by the existing data names in the geometry categories, such as least-squares planes."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_geom.details"@en, "_geom_special_details"@en, "geom_special_details"@en ; core:prefLabel "geom.special_details"@en . :_geom_torsion_angle a owl:Class ; cif_:_name "_geom_torsion.angle"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Angle defined by the sites identified by _geom_torsion.id. The torsion-angle definition should be that of Klyne and Prelog. The vector direction *_label_2 to *_label_3 is the viewing direction, and the torsion angle is the angle of twist required to superimpose the projection of the vector between site 2 and site 1 onto the projection of the vector between site 3 and site 4. Clockwise torsions are positive, anticlockwise torsions are negative. Ref: Klyne, W. & Prelog, V. (1960). Experientia, 16, 521-523."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_torsion"@en, "_geom_torsion.value"@en, "geom_torsion_angle"@en ; core:prefLabel "geom_torsion.angle"@en . :_geom_torsion_angle_su a owl:Class ; cif_:_name "_geom_torsion.angle_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ Standard uncertainty of the torsion angle."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_geom_torsion.value_esd"@en, "_geom_torsion_su"@en, "geom_torsion_angle_su"@en ; core:prefLabel "geom_torsion.angle_su"@en . :_geom_torsion_atom_site_label_1 a owl:Class ; cif_:_name "_geom_torsion.atom_site_label_1"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_geom_torsion.atom_site_id_1"@en, "_geom_torsion_atom_site_label_1"@en, "geom_torsion_atom_site_label_1"@en ; core:prefLabel "geom_torsion.atom_site_label_1"@en . :_geom_torsion_atom_site_label_2 a owl:Class ; cif_:_name "_geom_torsion.atom_site_label_2"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_geom_torsion.atom_site_id_2"@en, "_geom_torsion_atom_site_label_2"@en, "geom_torsion_atom_site_label_2"@en ; core:prefLabel "geom_torsion.atom_site_label_2"@en . :_geom_torsion_atom_site_label_3 a owl:Class ; cif_:_name "_geom_torsion.atom_site_label_3"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_geom_torsion.atom_site_id_3"@en, "_geom_torsion_atom_site_label_3"@en, "geom_torsion_atom_site_label_3"@en ; core:prefLabel "geom_torsion.atom_site_label_3"@en . :_geom_torsion_atom_site_label_4 a owl:Class ; cif_:_name "_geom_torsion.atom_site_label_4"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_geom_torsion.atom_site_id_4"@en, "_geom_torsion_atom_site_label_4"@en, "geom_torsion_atom_site_label_4"@en ; core:prefLabel "geom_torsion.atom_site_label_4"@en . :_geom_torsion_distances a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_geom_torsion.distances"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Distances between sites 1 - 2, 2 - 3 and 3 - 4."""@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom cif_:Real ], cif_:List ; core:altLabel "geom_torsion_distances"@en ; core:prefLabel "geom_torsion.distances"@en . :_geom_torsion_id a owl:Class ; cif_:_name "_geom_torsion.id"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ An identifier for the torsion angle that is unique within its loop."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_geom_torsion.id"@en, "geom_torsion_id"@en ; core:prefLabel "geom_torsion.id"@en . :_geom_torsion_publ_flag a owl:Class ; cif_:_name "_geom_torsion.publ_flag"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Code signals if the torsion angle is required for publication."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_geom_torsion_publ_flag"@en, "geom_torsion_publ_flag"@en ; core:prefLabel "geom_torsion.publ_flag"@en . :_geom_torsion_site_symmetry_1 a owl:Class ; cif_:_name "_geom_torsion.site_symmetry_1"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "_geom_torsion_site_symmetry_1"@en, "geom_torsion_site_symmetry_1"@en ; core:prefLabel "geom_torsion.site_symmetry_1"@en . :_geom_torsion_site_symmetry_2 a owl:Class ; cif_:_name "_geom_torsion.site_symmetry_2"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "_geom_torsion_site_symmetry_2"@en, "geom_torsion_site_symmetry_2"@en ; core:prefLabel "geom_torsion.site_symmetry_2"@en . :_geom_torsion_site_symmetry_3 a owl:Class ; cif_:_name "_geom_torsion.site_symmetry_3"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "_geom_torsion_site_symmetry_3"@en, "geom_torsion_site_symmetry_3"@en ; core:prefLabel "geom_torsion.site_symmetry_3"@en . :_geom_torsion_site_symmetry_4 a owl:Class ; cif_:_name "_geom_torsion.site_symmetry_4"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "_geom_torsion_site_symmetry_4"@en, "geom_torsion_site_symmetry_4"@en ; core:prefLabel "geom_torsion.site_symmetry_4"@en . :_journal_coden_ASTM a owl:Class ; cif_:_name "_journal.coden_ASTM"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ ASTM code assigned to journal."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_journal_coden_ASTM"@en, "journal_coden_ASTM"@en ; core:prefLabel "journal.coden_ASTM"@en . :_journal_coden_Cambridge a owl:Class ; cif_:_name "_journal.coden_Cambridge"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Cambridge Cryst. Data Centre code assigned to journal."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_journal_coden_Cambridge"@en, "journal_coden_Cambridge"@en ; core:prefLabel "journal.coden_Cambridge"@en . :_journal_coeditor_address a owl:Class ; cif_:_name "_journal_coeditor.address"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The postal address of the coeditor."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal.coeditor_address"@en, "_journal_coeditor_address"@en, "journal_coeditor_address"@en ; core:prefLabel "journal_coeditor.address"@en . :_journal_coeditor_code a owl:Class ; cif_:_name "_journal_coeditor.code"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ The coeditor identifier."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_journal.coeditor_code"@en, "_journal_coeditor_code"@en, "journal_coeditor_code"@en ; core:prefLabel "journal_coeditor.code"@en . :_journal_coeditor_email a owl:Class ; cif_:_name "_journal_coeditor.email"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The email address of the coeditor."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal.coeditor_email"@en, "_journal_coeditor_email"@en, "journal_coeditor_email"@en ; core:prefLabel "journal_coeditor.email"@en . :_journal_coeditor_fax a owl:Class ; cif_:_name "_journal_coeditor.fax"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The fax number of the coeditor."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal.coeditor_fax"@en, "_journal_coeditor_fax"@en, "journal_coeditor_fax"@en ; core:prefLabel "journal_coeditor.fax"@en . :_journal_coeditor_name a owl:Class ; cif_:_name "_journal_coeditor.name"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The name of the coeditor."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal.coeditor_name"@en, "_journal_coeditor_name"@en, "journal_coeditor_name"@en ; core:prefLabel "journal_coeditor.name"@en . :_journal_coeditor_notes a owl:Class ; cif_:_name "_journal_coeditor.notes"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Notes on coeditor interaction wrt this publication."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal.coeditor_notes"@en, "_journal_coeditor_notes"@en, "journal_coeditor_notes"@en ; core:prefLabel "journal_coeditor.notes"@en . :_journal_coeditor_phone a owl:Class ; cif_:_name "_journal_coeditor.phone"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The phone number of the coeditor."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal.coeditor_phone"@en, "_journal_coeditor_phone"@en, "journal_coeditor_phone"@en ; core:prefLabel "journal_coeditor.phone"@en . :_journal_data_validation_number a owl:Class ; cif_:_name "_journal.data_validation_number"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Journal data items are defined by the journal staff."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_journal_data_validation_number"@en, "journal_data_validation_number"@en ; core:prefLabel "journal.data_validation_number"@en . :_journal_date_accepted a owl:Class ; cif_:_name "_journal_date.accepted"^^xsd:string ; cif_:_type cif_:Date ; rdfs:comment """ Date when the publication was accepted."""@en ; rdfs:subClassOf cif_:Date ; core:altLabel "_journal.date_accepted"@en, "_journal_date_accepted"@en, "journal_date_accepted"@en ; core:prefLabel "journal_date.accepted"@en . :_journal_date_from_coeditor a owl:Class ; cif_:_name "_journal_date.from_coeditor"^^xsd:string ; cif_:_type cif_:Date ; rdfs:comment """ Date when the publication was received from the coeditor."""@en ; rdfs:subClassOf cif_:Date ; core:altLabel "_journal.date_from_coeditor"@en, "_journal_date_from_coeditor"@en, "journal_date_from_coeditor"@en ; core:prefLabel "journal_date.from_coeditor"@en . :_journal_date_printers_final a owl:Class ; cif_:_name "_journal_date.printers_final"^^xsd:string ; cif_:_type cif_:Date ; rdfs:comment """ Date when the publication was last sent to the printers."""@en ; rdfs:subClassOf cif_:Date ; core:altLabel "_journal.date_printers_final"@en, "_journal_date_printers_final"@en, "journal_date_printers_final"@en ; core:prefLabel "journal_date.printers_final"@en . :_journal_date_printers_first a owl:Class ; cif_:_name "_journal_date.printers_first"^^xsd:string ; cif_:_type cif_:Date ; rdfs:comment """ Date when the publication was first sent to the printers."""@en ; rdfs:subClassOf cif_:Date ; core:altLabel "_journal.date_printers_first"@en, "_journal_date_printers_first"@en, "journal_date_printers_first"@en ; core:prefLabel "journal_date.printers_first"@en . :_journal_date_proofs_in a owl:Class ; cif_:_name "_journal_date.proofs_in"^^xsd:string ; cif_:_type cif_:Date ; rdfs:comment """ Date when the publication proofs were received."""@en ; rdfs:subClassOf cif_:Date ; core:altLabel "_journal.date_proofs_in"@en, "_journal_date_proofs_in"@en, "journal_date_proofs_in"@en ; core:prefLabel "journal_date.proofs_in"@en . :_journal_date_proofs_out a owl:Class ; cif_:_name "_journal_date.proofs_out"^^xsd:string ; cif_:_type cif_:Date ; rdfs:comment """ Date when the publication proofs were sent out."""@en ; rdfs:subClassOf cif_:Date ; core:altLabel "_journal.date_proofs_out"@en, "_journal_date_proofs_out"@en, "journal_date_proofs_out"@en ; core:prefLabel "journal_date.proofs_out"@en . :_journal_date_recd_copyright a owl:Class ; cif_:_name "_journal_date.recd_copyright"^^xsd:string ; cif_:_type cif_:Date ; rdfs:comment """ Date when the completed copyright was received."""@en ; rdfs:subClassOf cif_:Date ; core:altLabel "_journal.date_recd_copyright"@en, "_journal_date_recd_copyright"@en, "journal_date_recd_copyright"@en ; core:prefLabel "journal_date.recd_copyright"@en . :_journal_date_recd_electronic a owl:Class ; cif_:_name "_journal_date.recd_electronic"^^xsd:string ; cif_:_type cif_:Date ; rdfs:comment """ Date when the publication was received electronically."""@en ; rdfs:subClassOf cif_:Date ; core:altLabel "_journal.date_recd_electronic"@en, "_journal_date_recd_electronic"@en, "journal_date_recd_electronic"@en ; core:prefLabel "journal_date.recd_electronic"@en . :_journal_date_recd_hard_copy a owl:Class ; cif_:_name "_journal_date.recd_hard_copy"^^xsd:string ; cif_:_type cif_:Date ; rdfs:comment """ Date when the publication was received as hard copy."""@en ; rdfs:subClassOf cif_:Date ; core:altLabel "_journal.date_recd_hard_copy"@en, "_journal_date_recd_hard_copy"@en, "journal_date_recd_hard_copy"@en ; core:prefLabel "journal_date.recd_hard_copy"@en . :_journal_date_to_coeditor a owl:Class ; cif_:_name "_journal_date.to_coeditor"^^xsd:string ; cif_:_type cif_:Date ; rdfs:comment """ Date when the publication was sent to the coeditor."""@en ; rdfs:subClassOf cif_:Date ; core:altLabel "_journal.date_to_coeditor"@en, "_journal_date_to_coeditor"@en, "journal_date_to_coeditor"@en ; core:prefLabel "journal_date.to_coeditor"@en . :_journal_index_id a owl:Class ; cif_:_name "_journal_index.id"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Index number identifier of the JOURNAL_INDEX category."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_journal_index_id"@en, "journal_index_id"@en ; core:prefLabel "journal_index.id"@en . :_journal_index_subterm a owl:Class ; cif_:_name "_journal_index.subterm"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Sub-term index assigned for the publication."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal_index_subterm"@en, "journal_index_subterm"@en ; core:prefLabel "journal_index.subterm"@en . :_journal_index_term a owl:Class ; cif_:_name "_journal_index.term"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Term index assigned for the publication."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal_index_term"@en, "journal_index_term"@en ; core:prefLabel "journal_index.term"@en . :_journal_index_type a owl:Class ; cif_:_name "_journal_index.type"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Type of index assigned for the publication."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal_index_type"@en, "journal_index_type"@en ; core:prefLabel "journal_index.type"@en . :_journal_issue a owl:Class ; cif_:_name "_journal.issue"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Issue identifier within the journal."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_journal_issue"@en, "journal_issue"@en ; core:prefLabel "journal.issue"@en . :_journal_language a owl:Class ; cif_:_name "_journal.language"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Language of the publication."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal_language"@en, "journal_language"@en ; core:prefLabel "journal.language"@en . :_journal_name_full a owl:Class ; cif_:_name "_journal.name_full"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Full name of the journal."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal_name_full"@en, "journal_name_full"@en ; core:prefLabel "journal.name_full"@en . :_journal_page_first a owl:Class ; cif_:_name "_journal.page_first"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ First page of the publication in the journal."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal_page_first"@en, "journal_page_first"@en ; core:prefLabel "journal.page_first"@en . :_journal_page_last a owl:Class ; cif_:_name "_journal.page_last"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Last page of the publication in the journal."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal_page_last"@en, "journal_page_last"@en ; core:prefLabel "journal.page_last"@en . :_journal_paper_category a owl:Class ; cif_:_name "_journal.paper_category"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Category of the publication in the journal."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_journal_paper_category"@en, "journal_paper_category"@en ; core:prefLabel "journal.paper_category"@en . :_journal_paper_doi a owl:Class ; cif_:_name "_journal.paper_doi"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ DOI of the publication in the journal."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_journal_paper_doi"@en, "journal_paper_doi"@en ; core:prefLabel "journal.paper_doi"@en . :_journal_suppl_publ_number a owl:Class ; cif_:_name "_journal.suppl_publ_number"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Number of the supplementary publication."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_journal_suppl_publ_number"@en, "journal_suppl_publ_number"@en ; core:prefLabel "journal.suppl_publ_number"@en . :_journal_suppl_publ_pages a owl:Class ; cif_:_name "_journal.suppl_publ_pages"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Number of pages in the supplementary publication."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_journal_suppl_publ_pages"@en, "journal_suppl_publ_pages"@en ; core:prefLabel "journal.suppl_publ_pages"@en . :_journal_techeditor_address a owl:Class ; cif_:_name "_journal_techeditor.address"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Postal address of the technical editor for this publication."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal.techeditor_address"@en, "_journal_techeditor_address"@en, "journal_techeditor_address"@en ; core:prefLabel "journal_techeditor.address"@en . :_journal_techeditor_code a owl:Class ; cif_:_name "_journal_techeditor.code"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code of the technical editor for this publication."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_journal.techeditor_code"@en, "_journal_techeditor_code"@en, "journal_techeditor_code"@en ; core:prefLabel "journal_techeditor.code"@en . :_journal_techeditor_email a owl:Class ; cif_:_name "_journal_techeditor.email"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Email address of the technical editor for this publication."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal.techeditor_email"@en, "_journal_techeditor_email"@en, "journal_techeditor_email"@en ; core:prefLabel "journal_techeditor.email"@en . :_journal_techeditor_fax a owl:Class ; cif_:_name "_journal_techeditor.fax"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Fax number of the technical editor for this publication."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal.techeditor_fax"@en, "_journal_techeditor_fax"@en, "journal_techeditor_fax"@en ; core:prefLabel "journal_techeditor.fax"@en . :_journal_techeditor_name a owl:Class ; cif_:_name "_journal_techeditor.name"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Name of the technical editor for this publication."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal.techeditor_name"@en, "_journal_techeditor_name"@en, "journal_techeditor_name"@en ; core:prefLabel "journal_techeditor.name"@en . :_journal_techeditor_notes a owl:Class ; cif_:_name "_journal_techeditor.notes"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Notes of the technical editor for this publication."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal.techeditor_notes"@en, "_journal_techeditor_notes"@en, "journal_techeditor_notes"@en ; core:prefLabel "journal_techeditor.notes"@en . :_journal_techeditor_phone a owl:Class ; cif_:_name "_journal_techeditor.phone"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Phone number of the technical editor for this publication."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_journal.techeditor_phone"@en, "_journal_techeditor_phone"@en, "journal_techeditor_phone"@en ; core:prefLabel "journal_techeditor.phone"@en . :_journal_validation_number a owl:Class ; cif_:_name "_journal.validation_number"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Data validation number assigned to journal."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "journal_validation_number"@en ; core:prefLabel "journal.validation_number"@en . :_journal_volume a owl:Class ; cif_:_name "_journal.volume"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Volume number of the publication."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_journal_volume"@en, "journal_volume"@en ; core:prefLabel "journal.volume"@en . :_journal_year a owl:Class ; cif_:_name "_journal.year"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Year of the publication."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_journal_year"@en, "journal_year"@en ; core:prefLabel "journal.year"@en . :_model_site_Cartn_xyz a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_model_site.Cartn_xyz"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Vector of Cartesian (orthogonal angstrom) atom site coordinates."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "model_site_Cartn_xyz"@en ; core:prefLabel "model_site.Cartn_xyz"@en . :_model_site_adp_eigen_system a owl:Class ; cif_:_dimension "[3,4]"^^xsd:string ; cif_:_name "_model_site.adp_eigen_system"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The set of three adp eigenvalues and associated eigenvectors in the form of 4 element List. Each list has the form (val, vecX, vecY, vecZ) where the vector elements are direction cosines to the orthogonal axes X,Y,Z. The lists are sorted in descending magnitude of val. That is, the list with the largest val is first, and the smallest val is last."""@en ; rdfs:subClassOf :Shape3x4RealArray ; core:altLabel "model_site_adp_eigen_system"@en ; core:prefLabel "model_site.adp_eigen_system"@en . :_model_site_adp_matrix_beta a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_model_site.adp_matrix_beta"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Matrix of dimensionless anisotropic atomic displacement parameters."""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "model_site_adp_matrix_beta"@en ; core:prefLabel "model_site.adp_matrix_beta"@en . :_model_site_display_colour a owl:Class ; cif_:_name "_model_site.display_colour"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Display colour code assigned to this atom site. Note that the possible colours are enumerated in the colour_RGB list, and the default code is enumerated in the colour_hue list."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "model_site_display_colour"@en ; core:prefLabel "model_site.display_colour"@en . :_model_site_fract_xyz a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_model_site.fract_xyz"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Vector of fractional atom site coordinates."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "model_site_fract_xyz"@en ; core:prefLabel "model_site.fract_xyz"@en . :_model_site_id a owl:Class ; cif_:_name "_model_site.id"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ An identifier for the model site that is unique within its loop."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_model_site.id"@en, "model_site_id"@en ; core:prefLabel "model_site.id"@en . :_model_site_index a owl:Class ; cif_:_name "_model_site.index"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Index number of an atomic site in the connected molecule."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "model_site_index"@en ; core:prefLabel "model_site.index"@en . :_model_site_label a owl:Class ; cif_:_name "_model_site.label"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code identifies a site in the atom_site category of data."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "model_site_label"@en ; core:prefLabel "model_site.label"@en . :_model_site_mole_index a owl:Class ; cif_:_name "_model_site.mole_index"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Index number of a distinct molecules in the cell, not related by symmetry."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "model_site_mole_index"@en ; core:prefLabel "model_site.mole_index"@en . :_model_site_radius_bond a owl:Class ; cif_:_name "_model_site.radius_bond"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Atomic radius of atom located at this site."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "model_site_radius_bond"@en ; core:prefLabel "model_site.radius_bond"@en . :_model_site_radius_contact a owl:Class ; cif_:_name "_model_site.radius_contact"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Atomic contact radius of atom specie located at this site."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "model_site_radius_contact"@en ; core:prefLabel "model_site.radius_contact"@en . :_model_site_symop a owl:Class ; cif_:_name "_model_site.symop"^^xsd:string ; cif_:_type cif_:Symop ; cif_:example "."@en, "4"@en, "4th symmetry operation applied"@en, "7_645"@en, "7th symm. posn.; +a on x; -b on y"@en, "no symmetry or translation to site"@en ; rdfs:comment """ The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z"""@en ; rdfs:subClassOf cif_:Symop ; core:altLabel "model_site_symop"@en ; core:prefLabel "model_site.symop"@en . :_model_site_type_symbol a owl:Class ; cif_:_name "_model_site.type_symbol"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code to identify the atom specie(s) occupying this site."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "model_site_type_symbol"@en ; core:prefLabel "model_site.type_symbol"@en . :_publ_author_address a owl:Class ; cif_:_name "_publ_author.address"^^xsd:string ; cif_:_type cif_:Text ; cif_:example """Department Institute Street City and postcode COUNTRY"""@en ; rdfs:comment """ The address of a publication author. If there is more than one author, this will be looped with _publ_author.name."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ_author_address"@en, "publ_author_address"@en ; core:prefLabel "publ_author.address"@en . :_publ_author_email a owl:Class ; cif_:_name "_publ_author.email"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The e-mail address of a publication author. If there is more than one author, this will be looped with _publ_author.name. The format of e-mail addresses is given in Section 3.4, Address Specification, of Internet Message Format, RFC 2822, P. Resnick (Editor), Network Standards Group, April 2001."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ_author_email"@en, "publ_author_email"@en ; core:prefLabel "publ_author.email"@en . :_publ_author_footnote a owl:Class ; cif_:_name "_publ_author.footnote"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ A footnote accompanying an author's name in the list of authors of a paper. Typically indicates sabbatical address, additional affiliations or date of decease."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ_author_footnote"@en, "publ_author_footnote"@en ; core:prefLabel "publ_author.footnote"@en . :_publ_author_id a owl:Class ; cif_:_name "_publ_author.id"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Arbitrary identifier for this author"""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "publ_author_id"@en ; core:prefLabel "publ_author.id"@en . :_publ_author_id_audit a owl:Class ; cif_:_name "_publ_author.id_audit"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Identifier corresponding to this author in the audit_author list, if present."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "publ_author_id_audit"@en ; core:prefLabel "publ_author.id_audit"@en . :_publ_author_id_iucr a owl:Class ; cif_:_name "_publ_author.id_iucr"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Identifier in the IUCr contact database of a publication author. This identifier may be available from the World Directory of Crystallographers (http://wdc.iucr.org)."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_publ_author_id_iucr"@en, "publ_author_id_iucr"@en ; core:prefLabel "publ_author.id_iucr"@en . :_publ_author_id_orcid a owl:Class ; cif_:_name "_publ_author.id_orcid"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "-"@en, "0"@en, "1"@en, "2"@en, "3"@en, "9"@en ; rdfs:comment """Identifier in the ORCID Registry of a publication author. ORCID is an open, non-profit, community-driven service to provide a registry of unique researcher identifiers (http://orcid.org)."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_"@en, "a"@en, "b"@en, "c"@en, "d"@en, "h"@en, "i"@en, "l"@en, "o"@en, "p"@en, "publ_author_id_orcid"@en, "r"@en, "t"@en, "u"@en ; core:prefLabel "publ_author.id_orcid"@en . :_publ_author_name a owl:Class ; cif_:_name "_publ_author.name"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "Bleary, Percival R."@en, "M\\\"uller, H.A."@en, "O'Neil, F.K."@en, "Ross II, C.R."@en, "Simonov, Yu.A"@en, "Van den Bossche, G."@en, "Yang, D.-L."@en ; rdfs:comment """ The name of a publication author. If there are multiple authors, this will be looped with _publ_author.address. The family name(s), followed by a comma and including any dynastic components, precedes the first names or initials."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ_author_name"@en, "publ_author_name"@en ; core:prefLabel "publ_author.name"@en . :_publ_author_phone a owl:Class ; cif_:_name "_publ_author.phone"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "12()349477330"@en, "12(34)9477330"@en, "12(34)9477330x5543"@en ; rdfs:comment """ Telephone number of the author submitting the manuscript and data block. The recommended style starts with the international dialing prefix, followed by the area code in parentheses, followed by the local number and any extension number prefixed by 'x', with no spaces. The earlier convention of including the international dialing prefix in parentheses is no longer recommended."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ_author_phone"@en, "publ_author_phone"@en ; core:prefLabel "publ_author.phone"@en . :_publ_body_contents a owl:Class ; cif_:_name "_publ_body.contents"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ A text section of a submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ_body_contents"@en, "publ_body_contents"@en ; core:prefLabel "publ_body.contents"@en . :_publ_body_element a owl:Class ; cif_:_name "_publ_body.element"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The functional role of the associated text section."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ_body_element"@en, "publ_body_element"@en ; core:prefLabel "publ_body.element"@en . :_publ_body_format a owl:Class ; cif_:_name "_publ_body.format"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Enumerated state indicating the appropriate typesetting conventions for accented characters and special symbols in the text section."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ_body_format"@en, "publ_body_format"@en ; core:prefLabel "publ_body.format"@en . :_publ_body_label a owl:Class ; cif_:_name "_publ_body.label"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "1"@en, "1.1"@en, "2.1.3"@en ; rdfs:comment """ Unique identifier for each part of the body of the paper."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_publ_body_label"@en, "publ_body_label"@en ; core:prefLabel "publ_body.label"@en . :_publ_body_title a owl:Class ; cif_:_name "_publ_body.title"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Title of the associated section of text."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ_body_title"@en, "publ_body_title"@en ; core:prefLabel "publ_body.title"@en . :_publ_contact_author_address a owl:Class ; cif_:_name "_publ_contact_author.address"^^xsd:string ; cif_:_type cif_:Text ; cif_:example """Department of Chemistry and Biochemistry University of Guelph Ontario Canada N1G 2W1"""@en ; rdfs:comment """ The address of the author submitting the manuscript and data block. This is the person contacted by the journal editorial staff."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.contact_author_address"@en, "_publ_contact_author_address"@en, "publ_contact_author_address"@en ; core:prefLabel "publ_contact_author.address"@en . :_publ_contact_author_email a owl:Class ; cif_:_name "_publ_contact_author.email"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "banjo.patterson@gulgong.edu.au"@en, "name@host.domain.country"@en ; rdfs:comment """ E-mail address in a form recognizable to international networks. The format of e-mail addresses is given in Section 3.4, Address Specification, of Internet Message Format, RFC 2822, P. Resnick (Editor), Network Standards Group, April 2001."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.contact_author_email"@en, "_publ_contact_author_email"@en, "publ_contact_author_email"@en ; core:prefLabel "publ_contact_author.email"@en . :_publ_contact_author_fax a owl:Class ; cif_:_name "_publ_contact_author.fax"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Facsimile telephone number of the author submitting the manuscript and data block. The recommended style is the international dialing prefix, followed by the area code in parentheses, followed by the local number with no spaces. The earlier convention of including the international dialing prefix in parentheses is no longer recommended."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.contact_author_fax"@en, "_publ_contact_author_fax"@en, "publ_contact_author_fax"@en ; core:prefLabel "publ_contact_author.fax"@en . :_publ_contact_author_id a owl:Class ; cif_:_name "_publ_contact_author.id"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Arbitrary identifier for this author"""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "publ_contact_author_id"@en ; core:prefLabel "publ_contact_author.id"@en . :_publ_contact_author_id_iucr a owl:Class ; cif_:_name "_publ_contact_author.id_iucr"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Identifier in the IUCr contact database of the author submitting the manuscript and datablock. This identifier may be available from the World Directory of Crystallographers (http://wdc.iucr.org)."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ_contact_author_id_iucr"@en, "publ_contact_author_id_iucr"@en ; core:prefLabel "publ_contact_author.id_iucr"@en . :_publ_contact_author_id_orcid a owl:Class ; cif_:_name "_publ_contact_author.id_orcid"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "-"@en, "0"@en, "1"@en, "2"@en, "3"@en, "9"@en ; rdfs:comment """Identifier in the ORCID Registry of the author submitting the manuscript and data block. ORCID is an open, non-profit, community-driven service to provide a registry of unique researcher identifiers (http://orcid.org)."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_"@en, "a"@en, "b"@en, "c"@en, "d"@en, "h"@en, "i"@en, "l"@en, "n"@en, "o"@en, "p"@en, "publ_contact_author_id_orcid"@en, "r"@en, "t"@en, "u"@en ; core:prefLabel "publ_contact_author.id_orcid"@en . :_publ_contact_author_name a owl:Class ; cif_:_name "_publ_contact_author.name"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "Professor George Ferguson"@en ; rdfs:comment """ The name of the author(s) submitting the manuscript and data block. This is the person contacted by the journal editorial staff."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.contact_author"@en, "_publ.contact_author_name"@en, "_publ_contact_author"@en, "_publ_contact_author_name"@en, "publ_contact_author_name"@en ; core:prefLabel "publ_contact_author.name"@en . :_publ_contact_author_phone a owl:Class ; cif_:_name "_publ_contact_author.phone"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "12()349477330"@en, "12(34)9477330"@en, "12(34)9477330x5543"@en ; rdfs:comment """ Telephone number of author submitting the manuscript and data block. The recommended style is the international dialing prefix, followed by the area code in parentheses, followed by the local number and any extension number prefixed by 'x', with no spaces. The earlier convention of including the international dialing prefix in parentheses is no longer recommended."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.contact_author_phone"@en, "_publ_contact_author_phone"@en, "publ_contact_author_phone"@en ; core:prefLabel "publ_contact_author.phone"@en . :_publ_contact_letter a owl:Class ; cif_:_name "_publ.contact_letter"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ A letter submitted to the journal editor by the contact author."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ_contact_letter"@en, "publ_contact_letter"@en ; core:prefLabel "publ.contact_letter"@en . :_publ_manuscript_creation a owl:Class ; cif_:_name "_publ_manuscript.creation"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ A description of the wordprocessor package and computer used to create the manuscript stored as _publ_manuscript.processed."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.manuscript_creation"@en, "_publ_manuscript_creation"@en, "publ_manuscript_creation"@en ; core:prefLabel "publ_manuscript.creation"@en . :_publ_manuscript_incl_extra_defn a owl:Class ; cif_:_name "_publ_manuscript_incl_extra.defn"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Yes/No flags whether the corresponding data item marked for inclusion in a journal request list is a standard CIF definition or not."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ_manuscript_incl.extra_defn"@en, "_publ_manuscript_incl_extra_defn"@en, "publ_manuscript_incl_extra_defn"@en ; core:prefLabel "publ_manuscript_incl_extra.defn"@en . :_publ_manuscript_incl_extra_info a owl:Class ; cif_:_name "_publ_manuscript_incl_extra.info"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ A short note indicating the reason why the author wishes the corresponding data item marked for inclusion in the journal request list to be published."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ_manuscript_incl.extra_info"@en, "_publ_manuscript_incl_extra_info"@en, "publ_manuscript_incl_extra_info"@en ; core:prefLabel "publ_manuscript_incl_extra.info"@en . :_publ_manuscript_incl_extra_item a owl:Class ; cif_:_name "_publ_manuscript_incl_extra.item"^^xsd:string ; cif_:_type cif_:Tag ; rdfs:comment """ The data name (i.e. Tag) of a specific data item included in the manuscript which is not normally requested by the journal. The values of this item are the extra data names (which MUST be enclosed in single quotes) that will be added to the journal request list."""@en ; rdfs:subClassOf cif_:Tag ; core:altLabel "_publ_manuscript_incl.extra_item"@en, "_publ_manuscript_incl_extra_item"@en, "publ_manuscript_incl_extra_item"@en ; core:prefLabel "publ_manuscript_incl_extra.item"@en . :_publ_manuscript_processed a owl:Class ; cif_:_name "_publ_manuscript.processed"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The full manuscript of a paper (excluding possibly the figures and the tables) output in ASCII characters from a word processor. Information about the generation of this data item must be specified in the data item _publ_manuscript.creation."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.manuscript_processed"@en, "_publ_manuscript_processed"@en, "publ_manuscript_processed"@en ; core:prefLabel "publ_manuscript.processed"@en . :_publ_manuscript_text a owl:Class ; cif_:_name "_publ_manuscript.text"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The full manuscript of a paper (excluding figures and possibly the tables) output as standard ASCII text."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.manuscript_text"@en, "_publ_manuscript_text"@en, "publ_manuscript_text"@en ; core:prefLabel "publ_manuscript.text"@en . :_publ_requested_category a owl:Class ; cif_:_name "_publ_requested.category"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The category of paper submitted. For submission to Acta Crystallographica Section C or Acta Crystallographica Section E, ONLY those codes indicated for use with those journals should be used."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.requested_category"@en, "_publ_requested_category"@en, "publ_requested_category"@en ; core:prefLabel "publ_requested.category"@en . :_publ_requested_coeditor_name a owl:Class ; cif_:_name "_publ_requested.coeditor_name"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The name of the Co-editor whom the authors would like to process the submitted manuscript."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.requested_coeditor_name"@en, "_publ_requested_coeditor_name"@en, "publ_requested_coeditor_name"@en ; core:prefLabel "publ_requested.coeditor_name"@en . :_publ_requested_journal a owl:Class ; cif_:_name "_publ_requested.journal"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Name of the journal to which the manuscript is being submitted."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.requested_journal"@en, "_publ_requested_journal"@en, "publ_requested_journal"@en ; core:prefLabel "publ_requested.journal"@en . :_publ_section_abstract a owl:Class ; cif_:_name "_publ_section.abstract"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The abstract of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_abstract"@en, "_publ_section_abstract"@en, "publ_section_abstract"@en ; core:prefLabel "publ_section.abstract"@en . :_publ_section_acknowledgements a owl:Class ; cif_:_name "_publ_section.acknowledgements"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The acknowledgements section of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_acknowledgements"@en, "_publ_section_acknowledgements"@en, "publ_section_acknowledgements"@en ; core:prefLabel "publ_section.acknowledgements"@en . :_publ_section_comment a owl:Class ; cif_:_name "_publ_section.comment"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The comment section of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_comment"@en, "_publ_section_comment"@en, "publ_section_comment"@en ; core:prefLabel "publ_section.comment"@en . :_publ_section_discussion a owl:Class ; cif_:_name "_publ_section.discussion"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The discussion section of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_discussion"@en, "_publ_section_discussion"@en, "publ_section_discussion"@en ; core:prefLabel "publ_section.discussion"@en . :_publ_section_experimental a owl:Class ; cif_:_name "_publ_section.experimental"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The experimental section of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_experimental"@en, "_publ_section_experimental"@en, "publ_section_experimental"@en ; core:prefLabel "publ_section.experimental"@en . :_publ_section_exptl_prep a owl:Class ; cif_:_name "_publ_section.exptl_prep"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The experimental preparation section of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_exptl_prep"@en, "_publ_section_exptl_prep"@en, "publ_section_exptl_prep"@en ; core:prefLabel "publ_section.exptl_prep"@en . :_publ_section_exptl_refinement a owl:Class ; cif_:_name "_publ_section.exptl_refinement"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The experimental refinement section of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_exptl_refinement"@en, "_publ_section_exptl_refinement"@en, "publ_section_exptl_refinement"@en ; core:prefLabel "publ_section.exptl_refinement"@en . :_publ_section_exptl_solution a owl:Class ; cif_:_name "_publ_section.exptl_solution"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The experimental solution section of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_exptl_solution"@en, "_publ_section_exptl_solution"@en, "publ_section_exptl_solution"@en ; core:prefLabel "publ_section.exptl_solution"@en . :_publ_section_figure_captions a owl:Class ; cif_:_name "_publ_section.figure_captions"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The figure captions of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_figure_captions"@en, "_publ_section_figure_captions"@en, "publ_section_figure_captions"@en ; core:prefLabel "publ_section.figure_captions"@en . :_publ_section_introduction a owl:Class ; cif_:_name "_publ_section.introduction"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The introduction section of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_introduction"@en, "_publ_section_introduction"@en, "publ_section_introduction"@en ; core:prefLabel "publ_section.introduction"@en . :_publ_section_keywords a owl:Class ; cif_:_name "_publ_section.keywords"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The keywords of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_keywords"@en, "_publ_section_keywords"@en, "publ_section_keywords"@en ; core:prefLabel "publ_section.keywords"@en . :_publ_section_references a owl:Class ; cif_:_name "_publ_section.references"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The references section of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_references"@en, "_publ_section_references"@en, "publ_section_references"@en ; core:prefLabel "publ_section.references"@en . :_publ_section_related_literature a owl:Class ; cif_:_name "_publ_section.related_literature"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The related literature section of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_related_literature"@en, "_publ_section_related_literature"@en, "publ_section_related_literature"@en ; core:prefLabel "publ_section.related_literature"@en . :_publ_section_synopsis a owl:Class ; cif_:_name "_publ_section.synopsis"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The synopsis of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_synopsis"@en, "_publ_section_synopsis"@en, "publ_section_synopsis"@en ; core:prefLabel "publ_section.synopsis"@en . :_publ_section_table_legends a owl:Class ; cif_:_name "_publ_section.table_legends"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The table legends of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_table_legends"@en, "_publ_section_table_legends"@en, "publ_section_table_legends"@en ; core:prefLabel "publ_section.table_legends"@en . :_publ_section_title a owl:Class ; cif_:_name "_publ_section.title"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The full title of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_title"@en, "_publ_section_title"@en, "publ_section_title"@en ; core:prefLabel "publ_section.title"@en . :_publ_section_title_footnote a owl:Class ; cif_:_name "_publ_section.title_footnote"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Footnote (if any) to the title of the submitted paper."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_publ.section_title_footnote"@en, "_publ_section_title_footnote"@en, "publ_section_title_footnote"@en ; core:prefLabel "publ_section.title_footnote"@en . :_refine_diff_density_max a owl:Class ; cif_:_name "_refine_diff.density_max"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Maximum density value in a difference Fourier map."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.diff_density_max"@en, "_refine_diff_density_max"@en, "refine_diff_density_max"@en ; core:prefLabel "refine_diff.density_max"@en . :_refine_diff_density_max_su a owl:Class ; cif_:_name "_refine_diff.density_max_su"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Standard uncertainty of the maximum density value in a difference Fourier map."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.diff_density_max_esd"@en, "_refine_diff_density_max_su"@en, "refine_diff_density_max_su"@en ; core:prefLabel "refine_diff.density_max_su"@en . :_refine_diff_density_min a owl:Class ; cif_:_name "_refine_diff.density_min"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Minimum density value in a difference Fourier map."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.diff_density_min"@en, "_refine_diff_density_min"@en, "refine_diff_density_min"@en ; core:prefLabel "refine_diff.density_min"@en . :_refine_diff_density_min_su a owl:Class ; cif_:_name "_refine_diff.density_min_su"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Standard uncertainty of the minimum density value in a difference Fourier map."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.diff_density_min_esd"@en, "_refine_diff_density_min_su"@en, "refine_diff_density_min_su"@en ; core:prefLabel "refine_diff.density_min_su"@en . :_refine_diff_density_rms a owl:Class ; cif_:_name "_refine_diff.density_rms"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Root mean square density value in a difference Fourier map. This value is measured with respect to the arithmetic mean density and is derived from summations over each grid point in the asymmetric unit of the cell. This quantity is useful for assessing the significance of *_min and *_max values, and also for defining suitable contour levels."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.diff_density_rms"@en, "_refine_diff_density_rms"@en, "refine_diff_density_rms"@en ; core:prefLabel "refine_diff.density_rms"@en . :_refine_diff_density_rms_su a owl:Class ; cif_:_name "_refine_diff.density_rms_su"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Standard uncertainty of the root mean square density value in a difference Fourier map."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.diff_density_rms_esd"@en, "_refine_diff_density_rms_su"@en, "refine_diff_density_rms_su"@en ; core:prefLabel "refine_diff.density_rms_su"@en . :_refine_ls_F_calc_details a owl:Class ; cif_:_name "_refine_ls.F_calc_details"^^xsd:string ; cif_:_type cif_:Text ; cif_:example """Bessel functions expansion up to 5th order. estimated accuracy of Bessel function better than 0.001 electrons"""@en, "Gaussian integration using 16 points"@en ; rdfs:comment """ Details concerning the evaluation of the structure factors using the expression given in _refine_ls.F_calc_formula."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_refine_ls_F_calc_details"@en, "refine_ls_F_calc_details"@en ; core:prefLabel "refine_ls.F_calc_details"@en . :_refine_ls_F_calc_formula a owl:Class ; cif_:_name "_refine_ls.F_calc_formula"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Analytical expression used to calculate the structure factors."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_refine_ls_F_calc_formula"@en, "refine_ls_F_calc_formula"@en ; core:prefLabel "refine_ls.F_calc_formula"@en . :_refine_ls_F_calc_precision a owl:Class ; cif_:_name "_refine_ls.F_calc_precision"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Estimate of the precision resulting from the numerical approximations made during the evaluation of the structure factors using the expression _refine_ls.F_calc_formula following the method outlined in _refine_ls.F_calc_details."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine_ls_F_calc_precision"@en, "refine_ls_F_calc_precision"@en ; core:prefLabel "refine_ls.F_calc_precision"@en . :_refine_ls_R_Fsqd_factor a owl:Class ; cif_:_name "_refine_ls.R_Fsqd_factor"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Residual factor R(Fsqd), calculated on the squared amplitudes of the measured and calculated structure factors, for significantly intense reflections (satisfying _reflns.threshold_expression) and included in the refinement. The reflections also satisfy the resolution limits specified by _refine_ls.d_res_high and _refine_ls.d_res_low. sum | F(meas_gt)^2^ - F(calc)^2^ | R(Fsqd) = ------------------------------------ sum F(meas_gt)^2^ F(meas_gt)^2^ = squares of the 'observed' structure-factor F(calc)^2^ = squares of the calculated structure-factor and the sum is taken over the specified reflections"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_R_Fsqd_factor_obs"@en, "_refine_ls_R_Fsqd_factor"@en, "refine_ls_R_Fsqd_factor"@en ; core:prefLabel "refine_ls.R_Fsqd_factor"@en . :_refine_ls_R_I_factor a owl:Class ; cif_:_name "_refine_ls.R_I_factor"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Residual factor R(I) for significantly intense reflections (satisfying _reflns.threshold_expression) and included in the refinement. This is most often calculated in Rietveld refinements of powder data, where it is referred to as R~B~ or R~Bragg~. sum | I(meas_gt) - I(calc) | R(I) = ----------------------------- sum | I(meas_gt) | I(meas_gt) = the net 'observed' intensities I(calc) = the net calculated intensities and the sum is taken over the specified reflections"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_R_I_factor_obs"@en, "_refine_ls_R_I_factor"@en, "refine_ls_R_I_factor"@en ; core:prefLabel "refine_ls.R_I_factor"@en . :_refine_ls_R_factor_all a owl:Class ; cif_:_name "_refine_ls.R_factor_all"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Residual factor for all reflections satisfying the resolution limits specified by _refine_ls.d_res_high and _refine_ls.d_res_low. This is the conventional R factor. See also wR factor definitions. sum | F(meas) - F(calc) | R = ------------------------ sum | F(meas) | F(meas) = the measured structure-factor amplitudes F(calc) = the calculated structure-factor amplitudes and the sum is taken over the specified reflections"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_R_factor_all"@en, "_refine_ls_R_factor_all"@en, "refine_ls_R_factor_all"@en ; core:prefLabel "refine_ls.R_factor_all"@en . :_refine_ls_R_factor_gt a owl:Class ; cif_:_name "_refine_ls.R_factor_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Residual factor for the reflections judged significantly intense (see _reflns.number_gt and _reflns.threshold_expression) and included in the refinement. The reflections also satisfy the resolution limits specified by _refine_ls.d_res_high and _refine_ls.d_res_low. This is the conventional R factor. sum | F(meas_gt) - F(calc) | R = ----------------------------- sum | F(meas_gt) | F(meas_gt) = the 'observed' structure-factor amplitudes F(calc) = the calculated structure-factor amplitudes and the sum is taken over the specified reflections"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_R_factor_gt"@en, "_refine.ls_R_factor_obs"@en, "_refine_ls_R_factor_gt"@en, "_refine_ls_R_factor_obs"@en, "refine_ls_R_factor_gt"@en ; core:prefLabel "refine_ls.R_factor_gt"@en . :_refine_ls_abs_structure_Flack a owl:Class ; cif_:_name "_refine_ls.abs_structure_Flack"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The measure of absolute structure as defined by Flack (1983). For centrosymmetric structures, the only permitted value, if the data name is present, is 'inapplicable', represented by '.' . For noncentrosymmetric structures, the value must lie in the 99.97% Gaussian confidence interval -3u =< x =< 1 + 3u and a standard uncertainty (e.s.d.) u must be supplied. The _enumeration.range of 0.0:1.0 is correctly interpreted as meaning (0.0 - 3u) =< x =< (1.0 + 3u). Ref: Flack, H. D. (1983). Acta Cryst. A39, 876-881."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_abs_structure_Flack"@en, "_refine_ls_abs_structure_Flack"@en, "refine_ls_abs_structure_Flack"@en ; core:prefLabel "refine_ls.abs_structure_Flack"@en . :_refine_ls_abs_structure_Flack_su a owl:Class ; cif_:_name "_refine_ls.abs_structure_Flack_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Standard uncertainty of the measure of absolute structure as defined by Flack (1983)."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_abs_structure_Flack_esd"@en, "_refine_ls_abs_structure_Flack_su"@en, "refine_ls_abs_structure_Flack_su"@en ; core:prefLabel "refine_ls.abs_structure_Flack_su"@en . :_refine_ls_abs_structure_Rogers a owl:Class ; cif_:_name "_refine_ls.abs_structure_Rogers"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The measure of absolute structure as defined by Rogers (1981). The value must lie in the 99.97% Gaussian confidence interval -1 -3u =< \\h =< 1 + 3u and a standard uncertainty (e.s.d.) u must be supplied. The _enumeration.range of -1.0:1.0 is correctly interpreted as meaning (-1.0 - 3u) =< \\h =< (1.0 + 3u). Ref: Rogers, D. (1981). Acta Cryst. A37, 734-741."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_abs_structure_Rogers"@en, "_refine_ls_abs_structure_Rogers"@en, "refine_ls_abs_structure_Rogers"@en ; core:prefLabel "refine_ls.abs_structure_Rogers"@en . :_refine_ls_abs_structure_Rogers_su a owl:Class ; cif_:_name "_refine_ls.abs_structure_Rogers_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Standard uncertainty of the measure of absolute structure as defined by Rogers (1981)."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_abs_structure_Rogers_esd"@en, "_refine_ls_abs_structure_Rogers_su"@en, "refine_ls_abs_structure_Rogers_su"@en ; core:prefLabel "refine_ls.abs_structure_Rogers_su"@en . :_refine_ls_abs_structure_details a owl:Class ; cif_:_name "_refine_ls.abs_structure_details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Details on the absolute structure and how it was determined."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_refine.ls_abs_structure_details"@en, "_refine_ls_abs_structure_details"@en, "refine_ls_abs_structure_details"@en ; core:prefLabel "refine_ls.abs_structure_details"@en . :_refine_ls_class_R_Fsqd_factor a owl:Class ; cif_:_name "_refine_ls_class.R_Fsqd_factor"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Residual factor R(F^2^) for reflections in this class judged significantly intense (see _reflns.threshold_expression) and included in refinement. See _refine_ls.R_Fsqd_factor for details."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine_ls_class_R_Fsqd_factor"@en, "refine_ls_class_R_Fsqd_factor"@en ; core:prefLabel "refine_ls_class.R_Fsqd_factor"@en . :_refine_ls_class_R_I_factor a owl:Class ; cif_:_name "_refine_ls_class.R_I_factor"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Residual factor R(I) for reflections in this class judged significantly intense (see _reflns.threshold_expression) and included in refinement. See _refine_ls.R_I_factor for details."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine_ls_class_R_I_factor"@en, "refine_ls_class_R_I_factor"@en ; core:prefLabel "refine_ls_class.R_I_factor"@en . :_refine_ls_class_R_factor_all a owl:Class ; cif_:_name "_refine_ls_class.R_factor_all"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Residual factor for reflections in this class included in the refinement. See _refine_ls.R_factor_all definition for details."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine_ls_class_R_factor_all"@en, "refine_ls_class_R_factor_all"@en ; core:prefLabel "refine_ls_class.R_factor_all"@en . :_refine_ls_class_R_factor_gt a owl:Class ; cif_:_name "_refine_ls_class.R_factor_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Residual factor for the reflections in this class judged significantly intense (see _reflns.threshold_expression) and included in refinement. See _refine_ls.R_factor_gt for details."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine_ls_class_R_factor_gt"@en, "_refine_ls_class_R_factor_obs"@en, "refine_ls_class_R_factor_gt"@en ; core:prefLabel "refine_ls_class.R_factor_gt"@en . :_refine_ls_class_code a owl:Class ; cif_:_name "_refine_ls_class.code"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "1"@en, "m1"@en, "s2"@en ; rdfs:comment """ Code identifying a certain reflection class."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_refine_ls_class_code"@en, "refine_ls_class_code"@en ; core:prefLabel "refine_ls_class.code"@en . :_refine_ls_class_d_res_high a owl:Class ; cif_:_name "_refine_ls_class.d_res_high"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Highest resolution for the reflections in this class. This corresponds to the smallest interplanar d value."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine_ls_class_d_res_high"@en, "refine_ls_class_d_res_high"@en ; core:prefLabel "refine_ls_class.d_res_high"@en . :_refine_ls_class_d_res_low a owl:Class ; cif_:_name "_refine_ls_class.d_res_low"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Lowest resolution for the reflections in this class. This corresponds to the largest interplanar d value."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine_ls_class_d_res_low"@en, "refine_ls_class_d_res_low"@en ; core:prefLabel "refine_ls_class.d_res_low"@en . :_refine_ls_class_wR_factor_all a owl:Class ; cif_:_name "_refine_ls_class.wR_factor_all"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Weight residual for all reflections in this class judged significantly intense (see _reflns.threshold_expression) and included in refinement. See _refine_ls.wR_factor_all for details."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine_ls_class_wR_factor_all"@en, "refine_ls_class_wR_factor_all"@en ; core:prefLabel "refine_ls_class.wR_factor_all"@en . :_refine_ls_d_res_high a owl:Class ; cif_:_name "_refine_ls.d_res_high"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Highest resolution for the reflections used in refinement. This corresponds to the smallest interplanar d value."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_d_res_high"@en, "_refine_ls_d_res_high"@en, "refine_ls_d_res_high"@en ; core:prefLabel "refine_ls.d_res_high"@en . :_refine_ls_d_res_low a owl:Class ; cif_:_name "_refine_ls.d_res_low"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Lowest resolution for the reflections used in refinement. This corresponds to the largest interplanar d value."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_d_res_low"@en, "_refine_ls_d_res_low"@en, "refine_ls_d_res_low"@en ; core:prefLabel "refine_ls.d_res_low"@en . :_refine_ls_extinction_coef a owl:Class ; cif_:_name "_refine_ls.extinction_coef"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; cif_:example "3472(52)"@en, "Zachariasen coefficient r* = 0.347(5)e+04"@en ; rdfs:comment """ The extinction coefficient used to calculate the correction factor applied to the structure-factor data. The nature of the extinction coefficient is given in the definitions of _refine_ls.extinction_expression and _refine_ls.extinction_method. For the 'Zachariasen' method it is the r* value; for the 'Becker-Coppens type 1 isotropic' method it is the 'g' value. For 'Becker-Coppens type 2 isotropic' corrections it is the 'rho' value. Note that the magnitude of these values is usually of the order of 10000. Ref: Becker, P. J. & Coppens, P. (1974). Acta Cryst. A30, 129-147, 148-153. Zachariasen, W. H. (1967). Acta Cryst. 23, 558-564. Larson, A. C. (1967). Acta Cryst. 23, 664-665."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_extinction_coef"@en, "_refine_ls_extinction_coef"@en, "refine_ls_extinction_coef"@en ; core:prefLabel "refine_ls.extinction_coef"@en . :_refine_ls_extinction_coef_su a owl:Class ; cif_:_name "_refine_ls.extinction_coef_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Standard uncertainty of the extinction coefficient."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_extinction_coef_esd"@en, "_refine_ls_extinction_coef_su"@en, "refine_ls_extinction_coef_su"@en ; core:prefLabel "refine_ls.extinction_coef_su"@en . :_refine_ls_extinction_expression a owl:Class ; cif_:_name "_refine_ls.extinction_expression"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "Larson approach"@en, """Larson, A. C. (1970). "Crystallographic Computing", edited by F. R. Ahmed. Eq. (22) p. 292. Copenhagen: Munksgaard."""@en ; rdfs:comment """ Description of or reference to the extinction-correction equation used to apply the data item _refine_ls.extinction_coef. This information should be sufficient to reproduce the extinction- correction factors applied to the structure factors."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_refine.ls_extinction_expression"@en, "_refine_ls_extinction_expression"@en, "refine_ls_extinction_expression"@en ; core:prefLabel "refine_ls.extinction_expression"@en . :_refine_ls_extinction_method a owl:Class ; cif_:_name "_refine_ls.extinction_method"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "B-C type 2 Gaussian isotropic"@en, "Zachariasen"@en ; rdfs:comment """ Description of the extinction correction method applied with the data item _refine_ls.extinction_coef. This description should include information about the correction method, either 'Becker- Coppens' or 'Zachariasen'. The latter is sometimes referred to as the 'Larson' method even though it employs Zachariasen's formula. The Becker-Coppens procedure is referred to as 'type 1' when correcting secondary extinction dominated by the mosaic spread; as 'type 2' when secondary extinction is dominated by particle size and includes a primary extinction component; and as 'mixed' when there are types 1 and 2. For the Becker-Coppens method it is also necessary to set the mosaic distribution as either 'Gaussian' or 'Lorentzian'; and the nature of the extinction as 'isotropic' or 'anisotropic'. Note that if either the 'mixed' or 'anisotropic' corrections are applied the multiple coefficients cannot be contained in the _refine_ls.extinction_coef and must be listed in _refine.special_details. Ref: Becker, P. J. & Coppens, P. (1974). Acta Cryst. A30, 129-153. Zachariasen, W. H. (1967). Acta Cryst. 23, 558-564. Larson, A. C. (1967). Acta Cryst. 23, 664-665."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_refine.ls_extinction_method"@en, "_refine_ls_extinction_method"@en, "refine_ls_extinction_method"@en ; core:prefLabel "refine_ls.extinction_method"@en . :_refine_ls_goodness_of_fit_all a owl:Class ; cif_:_name "_refine_ls.goodness_of_fit_all"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Least-squares goodness-of-fit parameter S for all reflections after the final cycle of refinement. Ideally, account should be taken of parameters restrained in the least squares. { sum { w [ Y(meas) - Y(calc) ]^2^ } }^1/2^ S = { ------------------------------------ } { Nref - Nparam } Y(meas) = the measured coefficients (see _refine_ls.structure_factor_coef) Y(calc) = the calculated coefficients (see _refine_ls.structure_factor_coef) w = the least-squares reflection weight [1/(u^2^)] u = standard uncertainty Nref = the number of reflections used in the refinement Nparam = the number of refined parameters and the sum is taken over the specified reflections"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_goodness_of_fit_all"@en, "_refine_ls_goodness_of_fit_all"@en, "refine_ls_goodness_of_fit_all"@en ; core:prefLabel "refine_ls.goodness_of_fit_all"@en . :_refine_ls_goodness_of_fit_all_su a owl:Class ; cif_:_name "_refine_ls.goodness_of_fit_all_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Standard uncertainty of the least-squares goodness-of-fit parameter S for all reflections after the final cycle of refinement."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_goodness_of_fit_all_esd"@en, "_refine_ls_goodness_of_fit_all_su"@en, "refine_ls_goodness_of_fit_all_su"@en ; core:prefLabel "refine_ls.goodness_of_fit_all_su"@en . :_refine_ls_goodness_of_fit_gt a owl:Class ; cif_:_name "_refine_ls.goodness_of_fit_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Least-squares goodness-of-fit parameter S for significantly intense reflections, (i.e. 'observed' reflections with values greater-than the threshold set in _reflns.threshold_expression), after the final cycle. Ideally, account should be taken of parameters restrained in the least-squares refinement. { sum { w [ Y(meas_gt) - Y(calc) ]^2^ } }^1/2^ S = { --------------------------------------- } { Nref - Nparam } Y(meas_gt) = the 'observed' coefficients (see _refine_ls.structure_factor_coef) Y(calc) = the calculated coefficients (see _refine_ls.structure_factor_coef) w = the least-squares reflection weight [1/(u^2^)] u = standard uncertainty Nref = the number of reflections used in the refinement Nparam = the number of refined parameters and the sum is taken over the specified reflections"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_goodness_of_fit_gt"@en, "_refine.ls_goodness_of_fit_obs"@en, "_refine_ls_goodness_of_fit_gt"@en, "_refine_ls_goodness_of_fit_obs"@en, "refine_ls_goodness_of_fit_gt"@en ; core:prefLabel "refine_ls.goodness_of_fit_gt"@en . :_refine_ls_goodness_of_fit_gt_su a owl:Class ; cif_:_name "_refine_ls.goodness_of_fit_gt_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Standard uncertainty of the least-squares goodness-of-fit parameter S for gt reflections after the final cycle of refinement."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_goodness_of_fit_gt_esd"@en, "_refine.ls_goodness_of_fit_obs_esd"@en, "_refine_ls_goodness_of_fit_gt_su"@en, "refine_ls_goodness_of_fit_gt_su"@en ; core:prefLabel "refine_ls.goodness_of_fit_gt_su"@en . :_refine_ls_goodness_of_fit_ref a owl:Class ; cif_:_name "_refine_ls.goodness_of_fit_ref"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Least-squares goodness-of-fit parameter S for those reflections included in the final cycle of refinement. Account should be taken of restrained parameters. { sum { w [ Y(meas) - Y(calc) ]^2^ } }^1/2^ S = { ------------------------------------ } { Nref - Nparam } Y(meas) = the measured coefficients (see _refine_ls.structure_factor_coef) Y(calc) = the calculated coefficients (see _refine_ls.structure_factor_coef) w = the least-squares reflection weight [1/(u^2^)] u = standard uncertainty Nref = the number of reflections used in the refinement Nparam = the number of refined parameters and the sum is taken over the specified reflections"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_goodness_of_fit_ref"@en, "_refine_ls_goodness_of_fit_ref"@en, "refine_ls_goodness_of_fit_ref"@en ; core:prefLabel "refine_ls.goodness_of_fit_ref"@en . :_refine_ls_hydrogen_treatment a owl:Class ; cif_:_name "_refine_ls.hydrogen_treatment"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Code identifying how hydrogen atoms were treated in the refinement."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_refine.ls_hydrogen_treatment"@en, "_refine_ls_hydrogen_treatment"@en, "refine_ls_hydrogen_treatment"@en ; core:prefLabel "refine_ls.hydrogen_treatment"@en . :_refine_ls_matrix_type a owl:Class ; cif_:_name "_refine_ls.matrix_type"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Code identifying the matrix type used for least-squares derivatives."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_refine.ls_matrix_type"@en, "_refine_ls_matrix_type"@en, "refine_ls_matrix_type"@en ; core:prefLabel "refine_ls.matrix_type"@en . :_refine_ls_number_constraints a owl:Class ; cif_:_name "_refine_ls.number_constraints"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Number of constrained (non-refined or dependent) parameters in the least-squares process. These may be due to symmetry or any other constraint process (e.g. rigid-body refinement). See also _atom_site.constraints and _atom_site.refinement_flags. A general description of constraints may appear in _refine.special_details."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_refine.ls_number_constraints"@en, "_refine_ls_number_constraints"@en, "refine_ls_number_constraints"@en ; core:prefLabel "refine_ls.number_constraints"@en . :_refine_ls_number_parameters a owl:Class ; cif_:_name "_refine_ls.number_parameters"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Number of parameters refined in the least-squares process. If possible this number should include the restrained parameters. The restrained parameters are distinct from the constrained parameters (where one or more parameters are linearly dependent on the refined value of another). Least-squares restraints often depend on geometry or energy considerations and this makes their direct contribution to this number, and to the goodness-of-fit calculation, difficult to assess."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_refine.ls_number_parameters"@en, "_refine_ls_number_parameters"@en, "refine_ls_number_parameters"@en ; core:prefLabel "refine_ls.number_parameters"@en . :_refine_ls_number_reflns a owl:Class ; cif_:_name "_refine_ls.number_reflns"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Number of unique reflections used in the least-squares refinement."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_refine.ls_number_reflns_all"@en, "_refine_ls_number_reflns"@en, "refine_ls_number_reflns"@en ; core:prefLabel "refine_ls.number_reflns"@en . :_refine_ls_number_reflns_gt a owl:Class ; cif_:_name "_refine_ls.number_reflns_gt"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The number of reflections that satisfy the resolution limits established by _refine_ls.d_res_high and _refine_ls.d_res_low and the observation limit established by _reflns.observed_criterion."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_refine.ls_number_reflns_obs"@en, "_refine_ls_number_reflns_gt"@en, "refine_ls_number_reflns_gt"@en ; core:prefLabel "refine_ls.number_reflns_gt"@en . :_refine_ls_number_restraints a owl:Class ; cif_:_name "_refine_ls.number_restraints"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Number of restrained parameters in the least-squares refinement. These parameters do not directly dependent on another refined parameter. Often restrained parameters involve geometry or energy dependencies. See also _atom_site.constraints and _atom_site.refinement_flags. A description of refinement constraints may appear in _refine.special_details."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_refine.ls_number_restraints"@en, "_refine_ls_number_restraints"@en, "refine_ls_number_restraints"@en ; core:prefLabel "refine_ls.number_restraints"@en . :_refine_ls_restrained_S_all a owl:Class ; cif_:_name "_refine_ls.restrained_S_all"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Least-squares goodness-of-fit parameter S' for all reflections after the final cycle of least squares. This parameter explicitly includes the restraints applied in the least-squares process. See also _refine_ls.goodness_of_fit_all definition. {sum { w [ Y(meas) - Y(calc) ]^2^ } }^1/2^ { + sum~r~ { w~r~ [ P(calc) - P(targ) ]^2^ } } S' = { -------------------------------------------------- } { N~ref~ + N~restr~ - N~param~ } Y(meas) = the measured coefficients (see _refine_ls.structure_factor_coef) Y(calc) = the calculated coefficients (see _refine_ls.structure_factor_coef) w = the least-squares reflection weight [1/square of standard uncertainty (e.s.d.)] P(calc) = the calculated restraint values P(targ) = the target restraint values w~r~ = the restraint weight N~ref~ = the number of reflections used in the refinement (see _refine_ls.number_reflns) N~restr~ = the number of restraints (see _refine_ls.number_restraints) N~param~ = the number of refined parameters (see _refine_ls.number_parameters) sum is taken over the specified reflections sum~r~ is taken over the restraints"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_restrained_S_all"@en, "_refine_ls_restrained_S_all"@en, "refine_ls_restrained_S_all"@en ; core:prefLabel "refine_ls.restrained_S_all"@en . :_refine_ls_restrained_S_gt a owl:Class ; cif_:_name "_refine_ls.restrained_S_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Least-squares goodness-of-fit parameter S' for significantly intense reflections (satisfying _reflns.threshold_expression) after the final cycle of least squares. This parameter explicitly includes the restraints applied. The expression for S' is given in _refine_ls.restrained_S_all. {sum { w [ Y(meas_gt) - Y(calc) ]^2^ } }^1/2^ { + sum~r~ { w~r~ [ P(calc) - P(targ) ]^2^ } } S' = { -------------------------------------------------- } { N~ref~ + N~restr~ - N~param~ } Y(meas_gt) = the 'observed' coefficients (see _refine_ls.structure_factor_coef) Y(calc) = the calculated coefficients (see _refine_ls.structure_factor_coef) w = the least-squares reflection weight [1/square of standard uncertainty (e.s.d.)] P(calc) = the calculated restraint values P(targ) = the target restraint values w~r~ = the restraint weight N~ref~ = the number of reflections used in the refinement (see _refine_ls.number_reflns) N~restr~ = the number of restraints (see _refine_ls.number_restraints) N~param~ = the number of refined parameters (see _refine_ls.number_parameters) sum is taken over the specified reflections sum~r~ is taken over the restraints"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_restrained_S_obs"@en, "_refine_ls_restrained_S_gt"@en, "_refine_ls_restrained_S_obs"@en, "refine_ls_restrained_S_gt"@en ; core:prefLabel "refine_ls.restrained_S_gt"@en . :_refine_ls_shift_over_su_max a owl:Class ; cif_:_name "_refine_ls.shift_over_su_max"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The largest ratio of the final least-squares parameter shift to the final standard uncertainty (s.u., formerly described as estimated standard deviation, e.s.d.)."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_shift_over_esd_max"@en, "_refine.ls_shift_over_su_max"@en, "_refine_ls_shift/esd_max"@en, "_refine_ls_shift/su_max"@en, "_refine_ls_shift_over_su_max"@en, "refine_ls_shift_over_su_max"@en ; core:prefLabel "refine_ls.shift_over_su_max"@en . :_refine_ls_shift_over_su_max_lt a owl:Class ; cif_:_name "_refine_ls.shift_over_su_max_lt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Upper limit for the largest ratio of the final l-s parameter shift divided by the final standard uncertainty. This item is used when the largest value of the shift divided by the final standard uncertainty is too small to measure."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_shift_over_su_max_lt"@en, "_refine_ls_shift/su_max_lt"@en, "refine_ls_shift_over_su_max_lt"@en ; core:prefLabel "refine_ls.shift_over_su_max_lt"@en . :_refine_ls_shift_over_su_mean a owl:Class ; cif_:_name "_refine_ls.shift_over_su_mean"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The average ratio of the final least-squares parameter shift to the final standard uncertainty (s.u., formerly described as estimated standard deviation, e.s.d.)."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_shift_over_esd_mean"@en, "_refine.ls_shift_over_su_mean"@en, "_refine_ls_shift/esd_mean"@en, "_refine_ls_shift/su_mean"@en, "_refine_ls_shift_over_su_mean"@en, "refine_ls_shift_over_su_mean"@en ; core:prefLabel "refine_ls.shift_over_su_mean"@en . :_refine_ls_shift_over_su_mean_lt a owl:Class ; cif_:_name "_refine_ls.shift_over_su_mean_lt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Upper limit for the average ratio of the final l-s parameter shift divided by the final standard uncertainty. This item is used when the average value of the shift divided by the final standard uncertainty is too small to measure."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_shift_over_su_mean_lt"@en, "_refine_ls_shift/su_mean_lt"@en, "refine_ls_shift_over_su_mean_lt"@en ; core:prefLabel "refine_ls.shift_over_su_mean_lt"@en . :_refine_ls_structure_factor_coef a owl:Class ; cif_:_name "_refine_ls.structure_factor_coef"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Structure-factor coefficient used in the least-squares process."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_refine.ls_structure_factor_coef"@en, "_refine_ls_structure_factor_coef"@en, "refine_ls_structure_factor_coef"@en ; core:prefLabel "refine_ls.structure_factor_coef"@en . :_refine_ls_wR_factor_all a owl:Class ; cif_:_name "_refine_ls.wR_factor_all"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Weighted residual factors for all reflections satisfying the resolution limits specified by _refine_ls.d_res_high and _refine_ls.d_res_low. See also the _refine_ls.R_factor_all definition. ( sum w [ Y(meas) - Y(calc) ]^2^ )^1/2^ wR = ( ------------------------------ ) ( sum w Y(meas)^2^ ) Y(meas) = the measured amplitude _refine_ls.structure_factor_coef Y(calc) = the calculated amplitude _refine_ls.structure_factor_coef w = the least-squares weight and the sum is taken over the specified reflections"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_wR_factor_all"@en, "_refine_ls_wR_factor_all"@en, "refine_ls_wR_factor_all"@en ; core:prefLabel "refine_ls.wR_factor_all"@en . :_refine_ls_wR_factor_gt a owl:Class ; cif_:_name "_refine_ls.wR_factor_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Weighted residual factors for significantly intense reflections (satisfying _reflns.threshold_expression) included in the refinement. The reflections must also satisfy the resolution limits established by _refine_ls.d_res_high and _refine_ls.d_res_low. ( sum w [ Y(meas_gt) - Y(calc) ]^2^ )^1/2^ wR = ( ---------------------------------- ) ( sum w Y(meas_gt)^2^ ) Y(meas_gt) = the 'observed' amplitude _refine_ls.structure_factor_coef Y(calc) = the calculated amplitude _refine_ls.structure_factor_coef w = the least-squares weight and the sum is taken over the specified reflections"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine.ls_wR_factor_obs"@en, "_refine_ls_wR_factor_gt"@en, "_refine_ls_wR_factor_obs"@en, "refine_ls_wR_factor_gt"@en ; core:prefLabel "refine_ls.wR_factor_gt"@en . :_refine_ls_wR_factor_ref a owl:Class ; cif_:_name "_refine_ls.wR_factor_ref"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Weighted residual factors for reflections included in the refinement which satisfy the limits specified by _refine_ls.d_res_high and _refine_ls.d_res_low. ( sum w [ Y(meas) - Y(calc) ]^2^ )^1/2^ wR = ( ------------------------------ ) ( sum w Y(meas)^2^ ) Y(meas) = the measured amplitude _refine_ls.structure_factor_coef Y(calc) = the calculated amplitude _refine_ls.structure_factor_coef w = the least-squares weight and the sum is taken over the specified reflections"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refine_ls_wR_factor_ref"@en, "refine_ls_wR_factor_ref"@en ; core:prefLabel "refine_ls.wR_factor_ref"@en . :_refine_ls_weighting_details a owl:Class ; cif_:_name "_refine_ls.weighting_details"^^xsd:string ; cif_:_type cif_:Text ; cif_:example """ Sigdel model of Konnert-Hendrickson: Sigdel = Afsig + Bfsig*(sin(\\q)/\\l - 1/6) Afsig = 22.0, Bfsig = 150.0 at the beginning of refinement. Afsig = 16.0, Bfsig = 60.0 at the end of refinement."""@en ; rdfs:comment """ Description of special aspects of the weighting scheme used in the least-squares refinement. Used to describe the weighting when the value of _refine_ls.weighting_scheme is specified as 'calc'."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_refine.ls_weighting_details"@en, "_refine_ls_weighting_details"@en, "refine_ls_weighting_details"@en ; core:prefLabel "refine_ls.weighting_details"@en . :_refine_ls_weighting_scheme a owl:Class ; cif_:_name "_refine_ls.weighting_scheme"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ General description of the weighting scheme used in the least-squares. An enumerated code should be contained in this description."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_refine.ls_weighting_scheme"@en, "_refine_ls_weighting_scheme"@en, "refine_ls_weighting_scheme"@en ; core:prefLabel "refine_ls.weighting_scheme"@en . :_refine_special_details a owl:Class ; cif_:_name "_refine.special_details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Details of the refinement not specified by other data items."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_refine.details"@en, "_refine_special_details"@en, "refine_special_details"@en ; core:prefLabel "refine.special_details"@en . :_refln_A_calc a owl:Class ; cif_:_name "_refln.A_calc"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The calculated real structure-factor component A =|Fcalc|cos(phase)"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_A_calc"@en, "refln_A_calc"@en ; core:prefLabel "refln.A_calc"@en . :_refln_A_meas a owl:Class ; cif_:_name "_refln.A_meas"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The measured real structure-factor component A =|Fmeas|cos(phase)"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_A_meas"@en, "refln_A_meas"@en ; core:prefLabel "refln.A_meas"@en . :_refln_B_calc a owl:Class ; cif_:_name "_refln.B_calc"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The calculated imaginary structure-factor component B =|Fcalc|sin(phase)"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_B_calc"@en, "refln_B_calc"@en ; core:prefLabel "refln.B_calc"@en . :_refln_B_meas a owl:Class ; cif_:_name "_refln.B_meas"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The measured imaginary structure-factor component B =|Fmeas|sin(phase)"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_B_meas"@en, "refln_B_meas"@en ; core:prefLabel "refln.B_meas"@en . :_refln_F_calc a owl:Class ; cif_:_name "_refln.F_calc"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The structure factor amplitude for the reflection calculated from the atom site data."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_F_calc"@en, "refln_F_calc"@en ; core:prefLabel "refln.F_calc"@en . :_refln_F_complex a owl:Class ; cif_:_name "_refln.F_complex"^^xsd:string ; cif_:_type cif_:Complex ; rdfs:comment """ The structure factor vector for the reflection calculated from the atom site data."""@en ; rdfs:subClassOf cif_:Complex ; core:altLabel "_refln_F_complex"@en, "refln_F_complex"@en ; core:prefLabel "refln.F_complex"@en . :_refln_F_meas a owl:Class ; cif_:_name "_refln.F_meas"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The structure factor amplitude for the reflection derived from the measured intensities."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_F_meas"@en, "refln_F_meas"@en ; core:prefLabel "refln.F_meas"@en . :_refln_F_meas_su a owl:Class ; cif_:_name "_refln.F_meas_su"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Standard uncertainty of the measured structure factor amplitude."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln.F_meas_sigma"@en, "_refln_F_meas_su"@en, "_refln_F_sigma"@en, "refln_F_meas_su"@en ; core:prefLabel "refln.F_meas_su"@en . :_refln_F_squared_calc a owl:Class ; cif_:_name "_refln.F_squared_calc"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The structure factor amplitude squared for the reflection calculated from the atom site data."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_F_squared_calc"@en, "refln_F_squared_calc"@en ; core:prefLabel "refln.F_squared_calc"@en . :_refln_F_squared_meas a owl:Class ; cif_:_name "_refln.F_squared_meas"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ The structure factor amplitude for the reflection derived from the measured intensities."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_F_squared_meas"@en, "refln_F_squared_meas"@en ; core:prefLabel "refln.F_squared_meas"@en . :_refln_F_squared_meas_su a owl:Class ; cif_:_name "_refln.F_squared_meas_su"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ Standard uncertainty of the measured structure factor squared."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln.F_squared_sigma"@en, "_refln_F_squared_meas_su"@en, "_refln_F_squared_sigma"@en, "refln_F_squared_meas_su"@en ; core:prefLabel "refln.F_squared_meas_su"@en . :_refln_Lp_factor a owl:Class ; cif_:_name "_refln.Lp_factor"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The Lorentz-polarization factor appropriate for the instrument used to measure the diffraction intensity. This is applied to convert the net intensity into the measured F squared."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_Lp_factor"@en, "refln_Lp_factor"@en ; core:prefLabel "refln.Lp_factor"@en . :_refln_class_code a owl:Class ; cif_:_name "_refln.class_code"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code identifying the class to which this reflection has been assigned. This code must match a value of _reflns_class.code. Reflections may be grouped into classes for a variety of purposes. For example, for modulated structures each reflection class may be defined by the number m=sum|m~i~|, where the m~i~ are the integer coefficients that, in addition to h,k,l, index the corresponding diffraction vector in the basis defined for the reciprocal lattice."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_refln_class_code"@en, "refln_class_code"@en ; core:prefLabel "refln.class_code"@en . :_refln_d_spacing a owl:Class ; cif_:_name "_refln.d_spacing"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The distance in angstroms between lattice planes in the crystal with the indices _refln.hkl for this reflection."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_d_spacing"@en, "refln_d_spacing"@en ; core:prefLabel "refln.d_spacing"@en . :_refln_fom a owl:Class ; cif_:_name "_refln.fom"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The figure of merit m for this reflection. int P~alpha~ exp(i*alpha) dalpha m = -------------------------------- int P~alpha~ dalpha P~a~ = the probability that the phase angle a is correct int is taken over the range alpha = 0 to 2 pi."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "refln_fom"@en ; core:prefLabel "refln.fom"@en . :_refln_form_factor_table a owl:Class ; cif_:_dimension "[]"^^xsd:string ; cif_:_name "_refln.form_factor_table"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Atomic scattering factor table for the scattering angle of this diffraction vector and atom types in structure."""@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialPart ; owl:someValuesFrom cif_:Real ], cif_:Table ; core:altLabel "refln_form_factor_table"@en ; core:prefLabel "refln.form_factor_table"@en . :_refln_hkl a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_refln.hkl"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The Miller indices as a reciprocal space vector."""@en ; rdfs:subClassOf :Shape3IntegerMatrix ; core:altLabel "refln_hkl"@en ; core:prefLabel "refln.hkl"@en . :_refln_include_status a owl:Class ; cif_:_name "_refln.include_status"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Code indicating how the reflection was included in the refinement and R-factor calculations."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_refln.observed_status"@en, "_refln.status"@en, "_refln_include_status"@en, "_refln_observed_status"@en, "refln_include_status"@en ; core:prefLabel "refln.include_status"@en . :_refln_index_h a owl:Class ; cif_:_name "_refln.index_h"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_refln_index_h"@en, "refln_index_h"@en ; core:prefLabel "refln.index_h"@en . :_refln_index_k a owl:Class ; cif_:_name "_refln.index_k"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_refln_index_k"@en, "refln_index_k"@en ; core:prefLabel "refln.index_k"@en . :_refln_index_l a owl:Class ; cif_:_name "_refln.index_l"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_refln_index_l"@en, "refln_index_l"@en ; core:prefLabel "refln.index_l"@en . :_refln_intensity_calc a owl:Class ; cif_:_name "_refln.intensity_calc"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The intensity of the reflection calculated from the atom site data."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_intensity_calc"@en, "refln_intensity_calc"@en ; core:prefLabel "refln.intensity_calc"@en . :_refln_intensity_meas a owl:Class ; cif_:_name "_refln.intensity_meas"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The intensity of the reflection derived from the diffraction measurements."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_intensity_meas"@en, "refln_intensity_meas"@en ; core:prefLabel "refln.intensity_meas"@en . :_refln_intensity_meas_su a owl:Class ; cif_:_name "_refln.intensity_meas_su"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Standard uncertainty of the measured intensity."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln.intensity_sigma"@en, "_refln_intensity_meas_su"@en, "_refln_intensity_sigma"@en, "refln_intensity_meas_su"@en ; core:prefLabel "refln.intensity_meas_su"@en . :_refln_mean_path_length_tbar a owl:Class ; cif_:_name "_refln.mean_path_length_tbar"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "millimetres"^^xsd:string ; rdfs:comment """ Mean path length through the crystal for this diffraction vector."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_mean_path_length_tbar"@en, "refln_mean_path_length_tbar"@en ; core:prefLabel "refln.mean_path_length_tbar"@en . :_refln_phase_calc a owl:Class ; cif_:_name "_refln.phase_calc"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ The phase of the calculated structure-factor."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_phase_calc"@en, "refln_phase_calc"@en ; core:prefLabel "refln.phase_calc"@en . :_refln_phase_meas a owl:Class ; cif_:_name "_refln.phase_meas"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "degrees"^^xsd:string ; rdfs:comment """ The phase of the measured structure-factor. This may be derived from the atom site data if available or from the phase solution process prior to determination of the structure."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_phase_meas"@en, "refln_phase_meas"@en ; core:prefLabel "refln.phase_meas"@en . :_refln_refinement_status a owl:Class ; cif_:_name "_refln.refinement_status"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Status code of reflection in the structure refinement process."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_refln_refinement_status"@en, "refln_refinement_status"@en ; core:prefLabel "refln.refinement_status"@en . :_refln_scale_group_code a owl:Class ; cif_:_name "_refln.scale_group_code"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code identifying the scale (if there is more than one scale) used convert the measured structure factor to a common absolute value."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_refln_scale_group_code"@en, "refln_scale_group_code"@en ; core:prefLabel "refln.scale_group_code"@en . :_refln_sin_theta_over_lambda a owl:Class ; cif_:_name "_refln.sin_theta_over_lambda"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "reciprocal_angstroms"^^xsd:string ; rdfs:comment """ The (sin theta)/lambda value for this reflection."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln.sint_over_lambda"@en, "_refln_sin_theta_over_lambda"@en, "_refln_sint/lambda"@en, "refln_sin_theta_over_lambda"@en ; core:prefLabel "refln.sin_theta_over_lambda"@en . :_refln_symmetry_epsilon a owl:Class ; cif_:_name "_refln.symmetry_epsilon"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The symmetry reinforcement factor corresponding to the number of times the reflection indices are generated identically from the space-group symmetry operations."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_refln_symmetry_epsilon"@en, "refln_symmetry_epsilon"@en ; core:prefLabel "refln.symmetry_epsilon"@en . :_refln_symmetry_multiplicity a owl:Class ; cif_:_name "_refln.symmetry_multiplicity"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The number of reflections symmetry-equivalent under the Laue symmetry to the present reflection. In the Laue symmetry, Friedel opposites (h k l and -h -k -l) are equivalent. Tables of symmetry-equivalent reflections are available in International Tables for Crystallography, Volume A (1987), section 10.2."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_refln_symmetry_multiplicity"@en, "refln_symmetry_multiplicity"@en ; core:prefLabel "refln.symmetry_multiplicity"@en . :_refln_wavelength a owl:Class ; cif_:_name "_refln.wavelength"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The mean wavelength in angstroms of radiation used to measure this reflection. This is an important parameter for data collected using energy-dispersive detectors or the Laue method."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_refln_wavelength"@en, "refln_wavelength"@en ; core:prefLabel "refln.wavelength"@en . :_refln_wavelength_id a owl:Class ; cif_:_name "_refln.wavelength_id"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code identifying the wavelength in DIFFRN_RADIATION_WAVELENGTH list."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_refln_wavelength_id"@en, "refln_wavelength_id"@en ; core:prefLabel "refln.wavelength_id"@en . :_reflns_Friedel_coverage a owl:Class ; cif_:_name "_reflns.Friedel_coverage"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The proportion of Friedel related reflections present in the number of the 'independent reflections' specified by the item _reflns.number_total. This proportion is calculated as the ratio: [N(Crystal class) - N(Laue symmetry)] / N(Laue symmetry) where, working from the DIFFRN_REFLN list, N(Crystal class) is the number of reflections obtained on averaging under the symmetry of the crystal class N(Laue symmetry) is the number of reflections obtained on averaging under the Laue symmetry. (a) For centrosymmetric structures its value is necessarily equal to 0.0 as the crystal class is identical to the Laue symmetry. (b) For whole-sphere data for a crystal in the space group P1, _reflns.Friedel_coverage is equal to 1.0, as no reflection h k l is equivalent to -h -k -l in the crystal class and all Friedel pairs {h k l; -h -k -l} have been measured. (c) For whole-sphere data in space group Pmm2, the value will be < 1.0 because although reflections h k l and -h -k -l are not equivalent when h k l indices are non-zero, they are when l=0. (d) For a crystal in the group Pmm2 measurements of the two inequivalent octants h >= 0, k >=0, l lead to the same value as in (c), whereas measurements of the two equivalent octants h >= 0, k, l >= 0 will lead to a zero value for _reflns.Friedel_coverage."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_Friedel_coverage"@en, "reflns_Friedel_coverage"@en ; core:prefLabel "reflns.Friedel_coverage"@en . :_reflns_Friedel_fraction_full a owl:Class ; cif_:_name "_reflns.Friedel_fraction_full"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The ratio of Friedel pairs measured to _diffrn_reflns.theta_full to the number theoretically possible (ignoring reflections in centric projections and systematic absences throughout). In contrast to _reflns.Friedel_coverage this can take values in the full range 0 to 1 for any non-centrosymmetric space group, and so one can see at a glance how completely the Friedel pairs have been measured. For centrosymmetric space groups the value would be given as not-applicable '.'"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_Friedel_fraction_full"@en, "reflns_Friedel_fraction_full"@en ; core:prefLabel "reflns.Friedel_fraction_full"@en . :_reflns_Friedel_fraction_max a owl:Class ; cif_:_name "_reflns.Friedel_fraction_max"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The ratio of Friedel pairs measured to _diffrn_reflns.theta_max to the number theoretically possible (ignoring reflections in centric projections and systematic absences throughout). In contrast to _reflns.Friedel_coverage this can take values in the full range 0 to 1 for any non-centrosymmetric space group, and so one can see at a glance how completely the Friedel pairs have been measured. For centrosymmetric space groups the value would be given as not-applicable '.'"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_Friedel_fraction_max"@en, "reflns_Friedel_fraction_max"@en ; core:prefLabel "reflns.Friedel_fraction_max"@en . :_reflns_apply_dispersion_to_Fcalc a owl:Class ; cif_:_name "_reflns.apply_dispersion_to_Fcalc"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Yes or No flag on whether the anomalous dispersion scattering components will be applied in the F complex calculation. See _refln.F_complex"""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "reflns_apply_dispersion_to_Fcalc"@en ; core:prefLabel "reflns.apply_dispersion_to_Fcalc"@en . :_reflns_class_R_Fsqd_factor a owl:Class ; cif_:_name "_reflns_class.R_Fsqd_factor"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Residual factor R(F^2^) for reflections in this class judged significantly intense (i.e. greater than required by the _reflns.threshold_expression) and included in the refinement. sum | F(meas_gt)^2^ - F(calc)^2^ | R(Fsqd gt) = ------------------------------------ sum F(meas_gt)^2^ F(meas_gt)^2^ = square of the 'observed' structure-factor F(calc )^2^ = square of the calculated structure-factor and the sum is taken over the specified reflections"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_class_R_Fsqd_factor"@en, "reflns_class_R_Fsqd_factor"@en ; core:prefLabel "reflns_class.R_Fsqd_factor"@en . :_reflns_class_R_I_factor a owl:Class ; cif_:_name "_reflns_class.R_I_factor"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Residual factor R(I) for reflections in this class judged significantly intense (i.e. greater than required by the _reflns.threshold_expression) and included in the refinement. sum | I(meas_gt) - I(calc) | R(I gt) = ---------------------------- sum | I(meas_gt) | I(meas_gt) = the net 'observed' intensity I(calc ) = the net calculated intensity and the sum is taken over the specified reflections"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_class_R_I_factor"@en, "reflns_class_R_I_factor"@en ; core:prefLabel "reflns_class.R_I_factor"@en . :_reflns_class_R_factor_all a owl:Class ; cif_:_name "_reflns_class.R_factor_all"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Residual factor for reflections in this class used in refinement. sum | F(meas) - F(calc) | R(F all) = ------------------------ sum | F(meas) | F(meas) = the measured structure-factor amplitudes F(calc) = the calculated structure-factor amplitudes and the sum is taken over the specified reflections"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_class_R_factor_all"@en, "reflns_class_R_factor_all"@en ; core:prefLabel "reflns_class.R_factor_all"@en . :_reflns_class_R_factor_gt a owl:Class ; cif_:_name "_reflns_class.R_factor_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Residual factor for the reflections in this class judged significantly intense (i.e. greater than required by the _reflns.threshold_expression) and included in the refinement. sum | F(meas_gt) - F(calc) | R(F gt) = -------------------------------- sum | F(meas_gt) | F(meas) = the measured structure-factor amplitudes F(calc) = the calculated structure-factor amplitudes and the sum is taken over the specified reflections"""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_class_R_factor_gt"@en, "_reflns_class_R_factor_observed"@en, "reflns_class_R_factor_gt"@en ; core:prefLabel "reflns_class.R_factor_gt"@en . :_reflns_class_code a owl:Class ; cif_:_name "_reflns_class.code"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "c1"@en ; rdfs:comment """ Code identifying a reflection class."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_reflns_class_code"@en, "reflns_class_code"@en ; core:prefLabel "reflns_class.code"@en . :_reflns_class_d_res_high a owl:Class ; cif_:_name "_reflns_class.d_res_high"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Highest resolution for the reflections in this class. This corresponds to the smallest interplanar d value."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_class_d_res_high"@en, "reflns_class_d_res_high"@en ; core:prefLabel "reflns_class.d_res_high"@en . :_reflns_class_d_res_low a owl:Class ; cif_:_name "_reflns_class.d_res_low"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Lowest resolution for the reflections in this class. This corresponds to the largest interplanar d value."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_class_d_res_low"@en, "reflns_class_d_res_low"@en ; core:prefLabel "reflns_class.d_res_low"@en . :_reflns_class_description a owl:Class ; cif_:_name "_reflns_class.description"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "H0L0 common projection reflections"@en ; rdfs:comment """ Description of a reflection class."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_reflns_class_description"@en, "reflns_class_description"@en ; core:prefLabel "reflns_class.description"@en . :_reflns_class_number_gt a owl:Class ; cif_:_name "_reflns_class.number_gt"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Count of reflections in this REFLN class (not the DIFFRN_REFLN set) which are significantly intense (see _reflns.threshold_expression). It may include Friedel equivalent reflections (i.e. those which are equivalent under the Laue symmetry but inequivalent under the crystal class), depending to the nature of the structure and the procedures used."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns_class_number_gt"@en, "_reflns_class_number_observed"@en, "reflns_class_number_gt"@en ; core:prefLabel "reflns_class.number_gt"@en . :_reflns_class_number_total a owl:Class ; cif_:_name "_reflns_class.number_total"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Count of reflections in this REFLN class (not the DIFFRN_REFLN set). It may include Friedel equivalent reflections (those which are equivalent under the Laue symmetry but inequivalent under the crystal class), depending to the nature of the structure and the procedures used."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns_class_number_total"@en, "reflns_class_number_total"@en ; core:prefLabel "reflns_class.number_total"@en . :_reflns_class_wR_factor_all a owl:Class ; cif_:_name "_reflns_class.wR_factor_all"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ For each reflection class, the weighted residual factors for all reflections included in the refinement. The reflections also satisfy the resolution limits established by _reflns_class.d_res_high and _reflns_class.d_res_low. ( sum w [ Y(meas) - Y(calc) ]^2^ )^1/2^ wR = ( ------------------------------- ) ( sum w Y(meas)^2^ ) Y(meas) = the measured amplitudes specified by _refine_ls.structure_factor_coef Y(calc) = the calculated amplitudes specified by _refine_ls.structure_factor_coef w = the least-squares weights and the sum is taken over the reflections of this class."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_class_wR_factor_all"@en, "reflns_class_wR_factor_all"@en ; core:prefLabel "reflns_class.wR_factor_all"@en . :_reflns_d_resolution_high a owl:Class ; cif_:_name "_reflns.d_resolution_high"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Highest resolution for the final REFLN data set. This corresponds to the smallest interplanar d value."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_d_resolution_high"@en, "reflns_d_resolution_high"@en ; core:prefLabel "reflns.d_resolution_high"@en . :_reflns_d_resolution_low a owl:Class ; cif_:_name "_reflns.d_resolution_low"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Lowest resolution for the final REFLN data set. This corresponds to the largest interplanar d value."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_d_resolution_low"@en, "reflns_d_resolution_low"@en ; core:prefLabel "reflns.d_resolution_low"@en . :_reflns_limit_h_max a owl:Class ; cif_:_name "_reflns.limit_h_max"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns_limit_h_max"@en, "reflns_limit_h_max"@en ; core:prefLabel "reflns.limit_h_max"@en . :_reflns_limit_h_min a owl:Class ; cif_:_name "_reflns.limit_h_min"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns_limit_h_min"@en, "reflns_limit_h_min"@en ; core:prefLabel "reflns.limit_h_min"@en . :_reflns_limit_k_max a owl:Class ; cif_:_name "_reflns.limit_k_max"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns_limit_k_max"@en, "reflns_limit_k_max"@en ; core:prefLabel "reflns.limit_k_max"@en . :_reflns_limit_k_min a owl:Class ; cif_:_name "_reflns.limit_k_min"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns_limit_k_min"@en, "reflns_limit_k_min"@en ; core:prefLabel "reflns.limit_k_min"@en . :_reflns_limit_l_max a owl:Class ; cif_:_name "_reflns.limit_l_max"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns_limit_l_max"@en, "reflns_limit_l_max"@en ; core:prefLabel "reflns.limit_l_max"@en . :_reflns_limit_l_min a owl:Class ; cif_:_name "_reflns.limit_l_min"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The index of a reciprocal space vector."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns_limit_l_min"@en, "reflns_limit_l_min"@en ; core:prefLabel "reflns.limit_l_min"@en . :_reflns_limit_max a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_reflns.limit_max"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Maximum Miller indices of refined diffraction reflections."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "reflns_limit_max"@en ; core:prefLabel "reflns.limit_max"@en . :_reflns_limit_min a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_reflns.limit_min"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Minimum Miller indices of refined diffraction reflections."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "reflns_limit_min"@en ; core:prefLabel "reflns.limit_min"@en . :_reflns_number_gt a owl:Class ; cif_:_name "_reflns.number_gt"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Count of reflections in the REFLN set (not the DIFFRN_REFLN set) which are significantly intense (see _reflns.threshold_expression). It may include Friedel equivalent reflections (i.e. those which are equivalent under the Laue symmetry but inequivalent under the crystal class), depending to the nature of the structure and the procedures used."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns.number_obs"@en, "_reflns_number_gt"@en, "_reflns_number_obs"@en, "_reflns_number_observed"@en, "reflns_number_gt"@en ; core:prefLabel "reflns.number_gt"@en . :_reflns_number_total a owl:Class ; cif_:_name "_reflns.number_total"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Number of reflections in the REFLN set (not the DIFFRN_REFLN set). It may include Friedel equivalent reflections (i.e. those which are equivalent under the Laue symmetry but inequivalent under the crystal class), depending to the nature of the structure and the procedures used."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns.number_all"@en, "_reflns_number_all"@en, "_reflns_number_total"@en, "reflns_number_total"@en ; core:prefLabel "reflns.number_total"@en . :_reflns_scale_group_code a owl:Class ; cif_:_name "_reflns_scale.group_code"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code identifying a reflection scale group. These names need not correspond to _diffrn_scale_group.code names."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_reflns_scale_group_code"@en, "reflns_scale_group_code"@en ; core:prefLabel "reflns_scale.group_code"@en . :_reflns_scale_meas_F a owl:Class ; cif_:_name "_reflns_scale.meas_F"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Structure factor scale for this scale group."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_scale_meas_F"@en, "reflns_scale_meas_F"@en ; core:prefLabel "reflns_scale.meas_F"@en . :_reflns_scale_meas_F_squared a owl:Class ; cif_:_name "_reflns_scale.meas_F_squared"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Structure factor squared scale for this scale group."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_scale_meas_F_squared"@en, "reflns_scale_meas_F_squared"@en ; core:prefLabel "reflns_scale.meas_F_squared"@en . :_reflns_scale_meas_intensity a owl:Class ; cif_:_name "_reflns_scale.meas_intensity"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Net intensity scale for this scale group."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_scale_meas_intensity"@en, "reflns_scale_meas_intensity"@en ; core:prefLabel "reflns_scale.meas_intensity"@en . :_reflns_shell_Rmerge_F_all a owl:Class ; cif_:_name "_reflns_shell.Rmerge_F_all"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Rmerge(F) for all reflections in a given shell. sum~i~ ( sum~j~ | F~j~ - | ) Rmerge(F) = -------------------------------- sum~i~ ( sum~j~ ) F~j~ = the amplitude of the jth observation of reflection i = the mean of the amplitudes of all observations of reflection i sum~i~ is taken over all reflections sum~j~ is taken over all observations of each reflection."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_shell_Rmerge_F_all"@en, "reflns_shell_Rmerge_F_all"@en ; core:prefLabel "reflns_shell.Rmerge_F_all"@en . :_reflns_shell_Rmerge_F_gt a owl:Class ; cif_:_name "_reflns_shell.Rmerge_F_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Rmerge(F) for reflections in a shell which are significantly intense (see _reflns.threshold_expression). The residual merge expression is shown in the _reflns_shell.Rmerge_F_all definition."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_shell.Rmerge_F_obs"@en, "_reflns_shell_Rmerge_F_gt"@en, "_reflns_shell_Rmerge_F_obs"@en, "reflns_shell_Rmerge_F_gt"@en ; core:prefLabel "reflns_shell.Rmerge_F_gt"@en . :_reflns_shell_Rmerge_I_all a owl:Class ; cif_:_name "_reflns_shell.Rmerge_I_all"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Rmerge(I) for all reflections in a given shell. sum~i~ ( sum~j~ | I~j~ - | ) Rmerge(I) = -------------------------------- sum~i~ ( sum~j~ ) I~j~ = the intensity of the jth observation of reflection i = the mean of the intensities of all observations of reflection i sum~i~ is taken over all reflections sum~j~ is taken over all observations of each reflection."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_shell_Rmerge_I_all"@en, "reflns_shell_Rmerge_I_all"@en ; core:prefLabel "reflns_shell.Rmerge_I_all"@en . :_reflns_shell_Rmerge_I_gt a owl:Class ; cif_:_name "_reflns_shell.Rmerge_I_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Rmerge(I) for reflections in a shell which are significantly intense (see _reflns.threshold_expression). The residual merge expression is shown in the _reflns_shell.Rmerge_I_all definition."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_shell.Rmerge_I_obs"@en, "_reflns_shell_Rmerge_I_gt"@en, "_reflns_shell_Rmerge_I_obs"@en, "reflns_shell_Rmerge_I_gt"@en ; core:prefLabel "reflns_shell.Rmerge_I_gt"@en . :_reflns_shell_d_res_high a owl:Class ; cif_:_name "_reflns_shell.d_res_high"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Highest resolution for the reflections in this shell. This corresponds to the smallest interplanar d value."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_shell_d_res_high"@en, "reflns_shell_d_res_high"@en ; core:prefLabel "reflns_shell.d_res_high"@en . :_reflns_shell_d_res_limits a owl:Class ; cif_:_dimension "[2]"^^xsd:string ; cif_:_name "_reflns_shell.d_res_limits"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Resolution for the reflections in this shell stored as the list of lowest and highest values. This is the category key."""@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom cif_:Real ], cif_:List ; core:altLabel "reflns_shell_d_res_limits"@en ; core:prefLabel "reflns_shell.d_res_limits"@en . :_reflns_shell_d_res_low a owl:Class ; cif_:_name "_reflns_shell.d_res_low"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ Lowest resolution for the reflections in this shell. This corresponds to the largest interplanar d value."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_shell_d_res_low"@en, "reflns_shell_d_res_low"@en ; core:prefLabel "reflns_shell.d_res_low"@en . :_reflns_shell_meanI_over_suI_all a owl:Class ; cif_:_name "_reflns_shell.meanI_over_suI_all"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Ratio of the mean intensity in a shell to the mean standard uncertainty of the intensities in the shell."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_shell.meanI_over_sigI_all"@en, "_reflns_shell.meanI_over_uI_all"@en, "_reflns_shell_meanI_over_sigI_all"@en, "_reflns_shell_meanI_over_uI_all"@en, "reflns_shell_meanI_over_suI_all"@en ; core:prefLabel "reflns_shell.meanI_over_suI_all"@en . :_reflns_shell_meanI_over_suI_gt a owl:Class ; cif_:_name "_reflns_shell.meanI_over_suI_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Ratio of the mean intensity of significantly intense reflections (see _reflns.threshold_expression) in this shell to the mean standard uncertainty of the intensities in the shell."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_shell.meanI_over_sigI_gt"@en, "_reflns_shell.meanI_over_sigI_obs"@en, "_reflns_shell.meanI_over_uI_gt"@en, "_reflns_shell_meanI_over_sigI_gt"@en, "_reflns_shell_meanI_over_sigI_obs"@en, "_reflns_shell_meanI_over_uI_gt"@en, "reflns_shell_meanI_over_suI_gt"@en ; core:prefLabel "reflns_shell.meanI_over_suI_gt"@en . :_reflns_shell_number_measured_all a owl:Class ; cif_:_name "_reflns_shell.number_measured_all"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Total count of reflections measured for this resolution shell."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns_shell_number_measured_all"@en, "reflns_shell_number_measured_all"@en ; core:prefLabel "reflns_shell.number_measured_all"@en . :_reflns_shell_number_measured_gt a owl:Class ; cif_:_name "_reflns_shell.number_measured_gt"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Number of reflections measured for this resolution shell which are significantly intense (see _reflns.threshold_expression)."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns_shell.number_measured_obs"@en, "_reflns_shell_number_measured_gt"@en, "_reflns_shell_number_measured_obs"@en, "reflns_shell_number_measured_gt"@en ; core:prefLabel "reflns_shell.number_measured_gt"@en . :_reflns_shell_number_possible a owl:Class ; cif_:_name "_reflns_shell.number_possible"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Count of symmetry-unique reflections possible in this reflection shell."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns_shell.number_possible_all"@en, "_reflns_shell_number_possible"@en, "reflns_shell_number_possible"@en ; core:prefLabel "reflns_shell.number_possible"@en . :_reflns_shell_number_unique_all a owl:Class ; cif_:_name "_reflns_shell.number_unique_all"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Count of symmetry-unique reflections present in this reflection shell."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns_shell_number_unique_all"@en, "reflns_shell_number_unique_all"@en ; core:prefLabel "reflns_shell.number_unique_all"@en . :_reflns_shell_number_unique_gt a owl:Class ; cif_:_name "_reflns_shell.number_unique_gt"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Number of symmetry-unique reflections present in this reflection shell which are significantly intense (see _reflns.threshold_expression)."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_reflns_shell.number_unique_obs"@en, "_reflns_shell_number_unique_gt"@en, "_reflns_shell_number_unique_obs"@en, "reflns_shell_number_unique_gt"@en ; core:prefLabel "reflns_shell.number_unique_gt"@en . :_reflns_shell_percent_possible_all a owl:Class ; cif_:_name "_reflns_shell.percent_possible_all"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Percentage of reflections present in this shell over that possible."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_shell_percent_possible_all"@en, "reflns_shell_percent_possible_all"@en ; core:prefLabel "reflns_shell.percent_possible_all"@en . :_reflns_shell_percent_possible_gt a owl:Class ; cif_:_name "_reflns_shell.percent_possible_gt"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Percentage of reflections present in this shell which are significantly intense (see _reflns.threshold_expression), over that possible."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_reflns_shell.percent_possible_obs"@en, "_reflns_shell_percent_possible_gt"@en, "_reflns_shell_percent_possible_obs"@en, "reflns_shell_percent_possible_gt"@en ; core:prefLabel "reflns_shell.percent_possible_gt"@en . :_reflns_special_details a owl:Class ; cif_:_name "_reflns.special_details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Description of the properties of the REFLN reflection list that is not given in other data items. Should include details about the averaging of symmetry-equivalent reflections including Friedel pairs."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_reflns.details"@en, "_reflns_special_details"@en, "reflns_special_details"@en ; core:prefLabel "reflns.special_details"@en . :_reflns_threshold_expression a owl:Class ; cif_:_name "_reflns.threshold_expression"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "I>2u(I)"@en ; rdfs:comment """ Description of the criterion used to classify a reflection as having a "significant intensity". This criterion is usually expressed in terms of a u(I) or u(F) threshold. "u" is the standard uncertainty."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_reflns.observed_criterion"@en, "_reflns_observed_criterion"@en, "_reflns_threshold_expression"@en, "reflns_threshold_expression"@en ; core:prefLabel "reflns.threshold_expression"@en . :_space_group_Bravais_type a owl:Class ; cif_:_name "_space_group.Bravais_type"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "aP"@en, "triclinic (anorthic) primitive lattice"@en ; rdfs:comment """ The symbol denoting the lattice type (Bravais type) to which the translational subgroup (vector lattice) of the space group belongs. It consists of a lower-case letter indicating the crystal system followed by an upper-case letter indicating the lattice centring. The setting-independent symbol mS replaces the setting-dependent symbols mB and mC, and the setting-independent symbol oS replaces the setting-dependent symbols oA, oB and oC. Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed., p. 15. Dordrecht: Kluwer Academic Publishers."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "space_group_Bravais_type"@en ; core:prefLabel "space_group.Bravais_type"@en . :_space_group_IT_coordinate_system_code a owl:Class ; cif_:_name "_space_group.IT_coordinate_system_code"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ A qualifier taken from the enumeration list identifying which setting in International Tables for Crystallography Volume A (2002) (IT) is used. See IT Table 4.3.2.1, Section 2.2.16, Table 2.2.16.1, Section 2.2.16.1 and Fig. 2.2.6.4. This item is not computer-interpretable and cannot be used to define the coordinate system. Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "space_group_IT_coordinate_system_code"@en ; core:prefLabel "space_group.IT_coordinate_system_code"@en . :_space_group_IT_number a owl:Class ; cif_:_name "_space_group.IT_number"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The number as assigned in International Tables for Crystallography Vol. A, specifying the proper affine class (i.e. the orientation preserving affine class) of space groups (crystallographic space group type) to which the space group belongs. This number defines the space group type but not the coordinate system expressed."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_space_group_IT_number"@en, "_symmetry.Int_Tables_number"@en, "_symmetry_Int_Tables_number"@en, "space_group_IT_number"@en ; core:prefLabel "space_group.IT_number"@en . :_space_group_Laue_class a owl:Class ; cif_:_name "_space_group.Laue_class"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The Hermann-Mauguin symbol of the geometric crystal class of the point group of the space group where a centre of inversion is added if not already present."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "space_group_Laue_class"@en ; core:prefLabel "space_group.Laue_class"@en . :_space_group_Patterson_name_H-M a owl:Class ; cif_:_name "_space_group.Patterson_name_H-M"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "C 2/m"@en, "C m m m"@en, "F m -3"@en, "F m -3 m"@en, "F m m m"@en, "I 4/m"@en, "I 4/m m m"@en, "I m -3"@en, "I m -3 m"@en, "I m m m"@en, "P -1"@en, "P -3"@en, "P -3 1 m"@en, "P -3 m 1"@en, "P 2/m"@en, "P 4/m"@en, "P 4/m m m"@en, "P 6/m"@en, "P 6/m m m"@en, "P m -3"@en, "P m -3 m"@en, "P m m m"@en, "R -3"@en, "R -3 m"@en ; rdfs:comment """ The Hermann-Mauguin symbol of the type of that centrosymmetric symmorphic space group to which the Patterson function belongs; see Table 2.2.5.1 in International Tables for Crystallography Volume A (2002). A space separates each symbol referring to different axes. Underscores may replace the spaces, but this use is discouraged. Subscripts should appear without special symbols. Bars should be given as negative signs before the number to which they apply. Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed., Table 2.2.5.1. Dordrecht: Kluwer Academic Publishers."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "space_group_Patterson_name_H-M"@en ; core:prefLabel "space_group.Patterson_name_H-M"@en . :_space_group_centring_type a owl:Class ; cif_:_name "_space_group.centring_type"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Symbol for the lattice centring. This symbol may be dependent on the coordinate system chosen."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "space_group_centring_type"@en ; core:prefLabel "space_group.centring_type"@en . :_space_group_crystal_system a owl:Class ; cif_:_name "_space_group.crystal_system"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ The name of the system of geometric crystal classes of space groups (crystal system) to which the space group belongs. Note that rhombohedral space groups belong to the trigonal system."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_space_group_crystal_system"@en, "space_group_crystal_system"@en ; core:prefLabel "space_group.crystal_system"@en . :_space_group_generator_key a owl:Class ; cif_:_name "_space_group_generator.key"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Arbitrary identifier for each entry in the _space_group_generator.xyz list."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "space_group_generator_key"@en ; core:prefLabel "space_group_generator.key"@en . :_space_group_generator_xyz a owl:Class ; cif_:_name "_space_group_generator.xyz"^^xsd:string ; cif_:_type cif_:Code ; cif_:example """c glide reflection through the plane (x,1/4,z) chosen as one of the generators of the space group"""@en, "x,1/2-y,1/2+z"@en ; rdfs:comment """ A parsable string giving one of the symmetry generators of the space group in algebraic form. If W is a matrix representation of the rotational part of the generator defined by the positions and signs of x, y and z, and w is a column of translations defined by the fractions, an equivalent position X' is generated from a given position X by X' = WX + w. (Note: X is used to represent the bold italic x in International Tables for Crystallography Volume A, Section 5.) When a list of symmetry generators is given, it is assumed that the complete list of symmetry operations of the space group (including the identity operation) can be generated through repeated multiplication of the generators, that is, (W3, w3) is an operation of the space group if (W2,w2) and (W1,w1) [where (W1,w1) is applied first] are either operations or generators and: W3 = W2 x W1 w3 = W2 x w1 + w2. Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "space_group_generator_xyz"@en ; core:prefLabel "space_group_generator.xyz"@en . :_space_group_multiplicity a owl:Class ; cif_:_name "_space_group.multiplicity"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Number of unique symmetry elements in the space group."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "space_group_multiplicity"@en ; core:prefLabel "space_group.multiplicity"@en . :_space_group_name_H-M_alt a owl:Class ; cif_:_name "_space_group.name_H-M_alt"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "P 1 21/m 1"@en, "P 2/n 2/n 2/n (origin at -1)"@en, "R -3 2/m"@en, "space group No. 10"@en, "space group No. 166 rhomb"@en, "space group No. 48 origin 2"@en ; rdfs:comment """ _space_group.name_H-M_alt allows for any Hermann-Mauguin symbol to be given. The way in which this item is used is determined by the user and in general is not intended to be interpreted by computer. It may, for example, be used to give one of the extended Hermann-Mauguin symbols given in Table 4.3.1 of International Tables for Crystallography Vol. A (1995) or a Hermann-Mauguin symbol for a conventional or unconventional setting. Each component of the space group name is separated by a space or underscore. The use of space is strongly recommended. The underscore is only retained because it was used in earlier archived files. It should not be used in new CIFs. Subscripts should appear without special symbols. Bars should be given as negative signs before the numbers to which they apply. The commonly used Hermann-Mauguin symbol determines the space group type uniquely but a given space group type may be described by more than one Hermann-Mauguin symbol. The space group type is best described using _space_group.IT_number. The Hermann-Mauguin symbol may contain information on the choice of basis though not on the choice of origin. To define the setting uniquely use _space_group.name_Hall or list the symmetry operations."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_space_group_name_H-M_alt"@en, "space_group_name_H-M_alt"@en ; core:prefLabel "space_group.name_H-M_alt"@en . :_space_group_name_H-M_alt_description a owl:Class ; cif_:_name "_space_group.name_H-M_alt_description"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ A free-text description of the code appearing in _space_group.name_H-M_alt."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "space_group_name_H-M_alt_description"@en ; core:prefLabel "space_group.name_H-M_alt_description"@en . :_space_group_name_H-M_full a owl:Class ; cif_:_name "_space_group.name_H-M_full"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "P 21/n 21/m 21/a"@en, "full symbol for Pnma"@en ; rdfs:comment """ The full international Hermann-Mauguin space-group symbol as defined in Section 2.2.3 and given as the second item of the second line of each of the space-group tables of Part 7 of International Tables for Crystallography Volume A (2002). Each component of the space-group name is separated by a space or an underscore character. The use of a space is strongly recommended. The underscore is only retained because it was used in old CIFs. It should not be used in new CIFs. Subscripts should appear without special symbols. Bars should be given as negative signs before the numbers to which they apply. The commonly used Hermann-Mauguin symbol determines the space-group type uniquely but a given space-group type may be described by more than one Hermann-Mauguin symbol. The space-group type is best described using _space_group.IT_number or _space_group.name_Schoenflies. The full international Hermann-Mauguin symbol contains information about the choice of basis for monoclinic and orthorhombic space groups but does not give information about the choice of origin. To define the setting uniquely use _space_group.name_Hall, or list the symmetry operations or generators. Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_symmetry.space_group_name_H-M"@en, "_symmetry_space_group_name_H-M"@en, "space_group_name_H-M_full"@en ; core:prefLabel "space_group.name_H-M_full"@en . :_space_group_name_H-M_ref a owl:Class ; cif_:_name "_space_group.name_H-M_ref"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ The short international Hermann-Mauguin space-group symbol as defined in Section 2.2.3 and given as the first item of each space-group table in Part 7 of International Tables for Crystallography Volume A (2002). Each component of the space-group name is separated by a space or an underscore character. The use of a space is strongly recommended. The underscore is only retained because it was used in old CIFs. It should not be used in new CIFs. Subscripts should appear without special symbols. Bars should be given as negative signs before the numbers to which they apply. The short international Hermann-Mauguin symbol determines the space-group type uniquely. However, the space-group type is better described using _space_group.IT_number or _space_group.name_Schoenflies. The short international Hermann-Mauguin symbol contains no information on the choice of basis or origin. To define the setting uniquely use _space_group.name_Hall, or list the symmetry operations or generators. _space_group.name_H-M_alt may be used to give the Hermann-Mauguin symbol corresponding to the setting used. In the enumeration list, each possible value is identified by space-group number and Schoenflies symbol. Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "space_group_name_H-M_ref"@en ; core:prefLabel "space_group.name_H-M_ref"@en . :_space_group_name_Hall a owl:Class ; cif_:_name "_space_group.name_Hall"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "-R 3 2\""@en, "P 2ac 2n"@en, "P 61 2 2 (0 0 -1)"@en ; rdfs:comment """ Space group symbol defined by Hall. Each component of the space group name is separated by a space or an underscore. The use of space is strongly recommended because it specifies the coordinate system. The underscore in the name is only retained because it was used in earlier archived files. It should not be used in new CIFs. Ref: Hall, S. R. (1981). Acta Cryst. A37, 517-525 [See also International Tables for Crystallography, Vol. B (1993) 1.4 Appendix B]"""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_space_group_name_Hall"@en, "_symmetry.space_group_name_Hall"@en, "_symmetry_space_group_name_Hall"@en, "space_group_name_Hall"@en ; core:prefLabel "space_group.name_Hall"@en . :_space_group_name_Schoenflies a owl:Class ; cif_:_name "_space_group.name_Schoenflies"^^xsd:string ; cif_:_type cif_:Code ; cif_:example "C2h.5"@en, "Schoenflies symbol for space group No. 14"@en ; rdfs:comment """ The Schoenflies symbol as listed in International Tables for Crystallography Volume A denoting the proper affine class (i.e. orientation-preserving affine class) of space groups (space-group type) to which the space group belongs. This symbol defines the space-group type independently of the coordinate system in which the space group is expressed. The symbol is given with a period, '.', separating the Schoenflies point group and the superscript. Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "space_group_name_Schoenflies"@en ; core:prefLabel "space_group.name_Schoenflies"@en . :_space_group_point_group_H-M a owl:Class ; cif_:_name "_space_group.point_group_H-M"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "-4"@en, "4/m"@en ; rdfs:comment """ The Hermann-Mauguin symbol denoting the geometric crystal class of space groups to which the space group belongs, and the geometric crystal class of point groups to which the point group of the space group belongs."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "space_group_point_group_H-M"@en ; core:prefLabel "space_group.point_group_H-M"@en . :_space_group_symop_R a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_space_group_symop.R"^^xsd:string ; cif_:_type cif_:Real ; rdfs:comment """ A matrix containing the symmetry rotation operations of a space group | r11 r12 r13 | R = | r21 r22 r23 | | r31 r32 r33 |"""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "space_group_symop_R"@en ; core:prefLabel "space_group_symop.R"@en . :_space_group_symop_RT a owl:Class ; cif_:_dimension "[3,3]"^^xsd:string ; cif_:_name "_space_group_symop.RT"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The TRANSPOSE of the symmetry rotation matrix representing the point group operations of the space group | r11 r21 r31 | RT = | r12 r22 r32 | | r13 r23 r33 |"""@en ; rdfs:subClassOf :Shape3x3RealMatrix ; core:altLabel "space_group_symop_RT"@en ; core:prefLabel "space_group_symop.RT"@en . :_space_group_symop_Seitz_matrix a owl:Class ; cif_:_dimension "[4,4]"^^xsd:string ; cif_:_name "_space_group_symop.Seitz_matrix"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ A matrix containing the symmetry operations of a space group in 4x4 Seitz format. | r11 r12 r13 t1 | | R T | | r21 r22 r23 t2 | | 0 1 | | r31 r32 r33 t3 | | 0 0 0 1 |"""@en ; rdfs:subClassOf :Shape4x4RealMatrix ; core:altLabel "space_group_symop_Seitz_matrix"@en ; core:prefLabel "space_group_symop.Seitz_matrix"@en . :_space_group_symop_T a owl:Class ; cif_:_dimension "[3]"^^xsd:string ; cif_:_name "_space_group_symop.T"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ A vector containing the symmetry translation operations of a space group."""@en ; rdfs:subClassOf :Shape3RealMatrix ; core:altLabel "space_group_symop_T"@en ; core:prefLabel "space_group_symop.T"@en . :_space_group_symop_id a owl:Class ; cif_:_name "_space_group_symop.id"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Index identifying each entry in the _space_group_symop.operation_xyz list. It is normally the sequence number of the entry in that list, and should be identified with the code 'n' in the geometry symmetry codes of the form 'n_pqr'. The identity operation (i.e. _space_group_symop.operation_xyz set to 'x,y,z') should be set to 1."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_space_group_symop_id"@en, "_symmetry_equiv.pos_site_id"@en, "_symmetry_equiv_pos_site_id"@en, "space_group_symop_id"@en ; core:prefLabel "space_group_symop.id"@en . :_space_group_symop_operation_description a owl:Class ; cif_:_name "_space_group_symop.operation_description"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ An optional text description of a particular symmetry operation of the space group."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "space_group_symop_operation_description"@en ; core:prefLabel "space_group_symop.operation_description"@en . :_space_group_symop_operation_xyz a owl:Class ; cif_:_name "_space_group_symop.operation_xyz"^^xsd:string ; cif_:_type cif_:Text ; cif_:example "glide reflection through the plane (x,1/4,z) with glide vector (1/2)c"@en, "x,1/2-y,1/2+z"@en ; rdfs:comment """ A parsable string giving one of the symmetry operations of the space group in algebraic form. If W is a matrix representation of the rotational part of the symmetry operation defined by the positions and signs of x, y and z, and w is a column of translations defined by fractions, an equivalent position X' is generated from a given position X by the equation X' = WX + w (Note: X is used to represent bold_italics_x in International Tables for Crystallography Vol. A, Part 5) When a list of symmetry operations is given, it must contain a complete set of coordinate representatives which generates all the operations of the space group by the addition of all primitive translations of the space group. Such representatives are to be found as the coordinates of the general-equivalent position in International Tables for Crystallography Vol. A (2002), to which it is necessary to add any centring translations shown above the general-equivalent position. That is to say, it is necessary to list explicitly all the symmetry operations required to generate all the atoms in the unit cell defined by the setting used."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_space_group_symop_operation_xyz"@en, "_symmetry_equiv.pos_as_xyz"@en, "_symmetry_equiv_pos_as_xyz"@en, "space_group_symop_operation_xyz"@en ; core:prefLabel "space_group_symop.operation_xyz"@en . :_symmetry_cell_setting a owl:Class ; cif_:_name "_symmetry.cell_setting"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ This dataname should not be used and is DEPRECATED as it is ambiguous. The original definition is as follows: The cell settings for this space-group symmetry."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_symmetry_cell_setting"@en, "symmetry_cell_setting"@en ; core:prefLabel "symmetry.cell_setting"@en . :_valence_param_B a owl:Class ; cif_:_name "_valence_param.B"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The bond valence parameter B used in the expression s = exp[(Ro - R)/B] where s is the valence of bond length R."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_valence_param_B"@en, "valence_param_B"@en ; core:prefLabel "valence_param.B"@en . :_valence_param_Ro a owl:Class ; cif_:_name "_valence_param.Ro"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "angstroms"^^xsd:string ; rdfs:comment """ The bond valence parameter Ro used in the expression s = exp[(Ro - R)/B] where s is the valence of bond length R."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_valence_param_Ro"@en, "valence_param_Ro"@en ; core:prefLabel "valence_param.Ro"@en . :_valence_param_atom_1 a owl:Class ; cif_:_name "_valence_param.atom_1"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Atom type symbol for atom 1 forming a bond whose valence parameters are given in this category."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_valence_param_atom_1"@en, "valence_param_atom_1"@en ; core:prefLabel "valence_param.atom_1"@en . :_valence_param_atom_1_valence a owl:Class ; cif_:_name "_valence_param.atom_1_valence"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The formal charge of the atom 1 whose bond valence parameters are given in this category."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_valence_param_atom_1_valence"@en, "valence_param_atom_1_valence"@en ; core:prefLabel "valence_param.atom_1_valence"@en . :_valence_param_atom_2 a owl:Class ; cif_:_name "_valence_param.atom_2"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Atom type symbol for atom 2 forming a bond whose valence parameters are given in this category."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_valence_param_atom_2"@en, "valence_param_atom_2"@en ; core:prefLabel "valence_param.atom_2"@en . :_valence_param_atom_2_valence a owl:Class ; cif_:_name "_valence_param.atom_2_valence"^^xsd:string ; cif_:_type cif_:Real ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ The formal charge of the atom 2 whose bond valence parameters are given in this category."""@en ; rdfs:subClassOf cif_:Real ; core:altLabel "_valence_param_atom_2_valence"@en, "valence_param_atom_2_valence"@en ; core:prefLabel "valence_param.atom_2_valence"@en . :_valence_param_details a owl:Class ; cif_:_name "_valence_param.details"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Details of valence parameters of stated bond."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_valence_param_details"@en, "valence_param_details"@en ; core:prefLabel "valence_param.details"@en . :_valence_param_id a owl:Class ; cif_:_name "_valence_param.id"^^xsd:string ; cif_:_type cif_:Integer ; cif_:_unit "none"^^xsd:string ; rdfs:comment """ Unique index loop number of the valence parameter loop."""@en ; rdfs:subClassOf cif_:Integer ; core:altLabel "_valence_param_id"@en, "valence_param_id"@en ; core:prefLabel "valence_param.id"@en . :_valence_param_ref_id a owl:Class ; cif_:_name "_valence_param.ref_id"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Code linking parameters to the key _valence_ref.id key in the reference list in category VALENCE_REF."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_valence_param_ref_id"@en, "valence_param_ref_id"@en ; core:prefLabel "valence_param.ref_id"@en . :_valence_ref_id a owl:Class ; cif_:_name "_valence_ref.id"^^xsd:string ; cif_:_type cif_:Code ; rdfs:comment """ Unique loop code of the valence references."""@en ; rdfs:subClassOf cif_:Code ; core:altLabel "_valence_ref_id"@en, "valence_ref_id"@en ; core:prefLabel "valence_ref.id"@en . :_valence_ref_reference a owl:Class ; cif_:_name "_valence_ref.reference"^^xsd:string ; cif_:_type cif_:Text ; rdfs:comment """ Literature reference from which the valence parameters identified by _valence_param.id were taken."""@en ; rdfs:subClassOf cif_:Text ; core:altLabel "_valence_ref_reference"@en, "valence_ref_reference"@en ; core:prefLabel "valence_ref.reference"@en . cif_:DATA_ITEMS a owl:Class ; rdfs:comment "A row, column or function in a table."@en ; rdfs:subClassOf cif_:DDL_CONCEPT ; core:prefLabel "DATA_ITEMS"@en . cif_:Table a owl:Class ; rdfs:comment "An unordered set of id:value elements."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialPart ; owl:someValuesFrom cif_:Single ], cif_:DATA_VALUE ; core:prefLabel "Table"@en . cif_:Tag a owl:Class ; rdfs:comment "Case-insensitive CIF2 character sequence with leading underscore and no ASCII whitespace."@en ; rdfs:subClassOf cif_:Code ; core:prefLabel "Tag"@en . cif_:hasNumericalData a owl:DatatypeProperty ; rdfs:subPropertyOf owl:topDataProperty ; core:prefLabel "hasNumericalData"@en . cif_:hasSymbolData a owl:DatatypeProperty ; rdfs:range xsd:string ; rdfs:subPropertyOf owl:topDataProperty ; core:prefLabel "hasSymbolData"@en . cif_:Array a owl:Class ; rdfs:comment "Ordered set of values of the same type. Operations across arrays are equivalent to operations across elements of the Array."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialPart ; owl:someValuesFrom cif_:Single ], cif_:DATA_VALUE ; core:prefLabel "Array"@en . cif_:CIF a owl:Class ; rdfs:comment "the class of all data represented using the CIF dictionaries."@en ; core:prefLabel "CIF"@en . cif_:Datetime a owl:Class ; rdfs:comment "A timestamp. Text formats must use date-time or full-date productions of RFC 3339 ABNF."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onDataRange xsd:dateTime ; owl:onProperty cif_:hasDateTimeData ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ], cif_:Single ; core:prefLabel "Datetime"@en . cif_:Complex a owl:Class ; rdfs:comment "A complex number."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onClass cif_:Imag ; owl:onProperty cif_:hasSpatialDirectPart ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ], [ a owl:Restriction ; owl:onClass cif_:Real ; owl:onProperty cif_:hasSpatialDirectPart ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ], cif_:Single ; core:prefLabel "Complex"@en . cif_:DDL_CONCEPT a owl:Class ; rdfs:comment "The class of concepts defined in the dictionary definition language."@en ; rdfs:subClassOf cif_:CIF ; core:prefLabel "DDL_CONCEPT"@en . cif_:Implied a owl:Class ; rdfs:comment "Implied by the context of the attribute."@en ; rdfs:subClassOf cif_:Single ; core:prefLabel "Implied"@en . cif_:Matrix a owl:Class ; rdfs:comment "Ordered set of numerical values for a tensor. Tensor operations such as dot and cross products, are valid cross matrix objects. A matrix with a single dimension is interpreted as a row or column vector as required."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialPart ; owl:someValuesFrom cif_:Single ], cif_:DATA_VALUE ; core:prefLabel "Matrix"@en . :Shape3IntegerMatrix a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onClass cif_:Integer ; owl:onProperty cif_:hasSpatialDirectPart ; owl:qualifiedCardinality "3"^^xsd:nonNegativeInteger ], cif_:Matrix ; core:prefLabel "Shape3IntegerMatrix"@en . cif_:DATA_VALUE a owl:Class ; rdfs:comment "Data items correspond to a type. Its individuals are the actual data strings or numbers."@en ; rdfs:subClassOf cif_:DDL_CONCEPT ; core:altLabel "_type"@en ; core:prefLabel "DATA_VALUE"@en . cif_:List a owl:Class ; rdfs:comment "Ordered set of values. Elements need not be of same contents type."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom cif_:Single ], cif_:DATA_VALUE ; core:prefLabel "List"@en . cif_:Single a owl:Class ; rdfs:comment "Single value."@en ; rdfs:subClassOf cif_:DATA_VALUE ; core:prefLabel "Single"@en . :Shape3x3RealMatrix a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onClass :Shape3RealMatrix ; owl:onProperty cif_:hasSpatialDirectPart ; owl:qualifiedCardinality "3"^^xsd:nonNegativeInteger ], cif_:Matrix ; core:prefLabel "Shape3x3RealMatrix"@en . :Shape3RealMatrix a owl:Class ; rdfs:subClassOf [ a owl:Restriction ; owl:onClass cif_:Real ; owl:onProperty cif_:hasSpatialDirectPart ; owl:qualifiedCardinality "3"^^xsd:nonNegativeInteger ], cif_:Matrix ; core:prefLabel "Shape3RealMatrix"@en . cif_:Date a owl:Class ; rdfs:comment "ISO standard date format --
."@en ; rdfs:subClassOf cif_:Datetime ; owl:deprecated "Use DateTime for all new dictionaries."@en ; core:prefLabel "Date"@en . cif_:Symop a owl:Class ; rdfs:comment "A string composed of an integer optionally followed by an underscore or space and three or more digits."@en ; rdfs:subClassOf cif_:Text ; core:prefLabel "Symop"@en . cif_:CATEGORY a owl:Class ; rdfs:comment """A superclass of CIF categories used to categorize data items. Only data items belonging to the same category can be placed in the same table."""@en ; rdfs:subClassOf cif_:DDL_CONCEPT ; core:altLabel "CIF_CATEGORIZED"@en ; core:prefLabel "CATEGORY"@en . cif_:ROW a owl:Class ; rdfs:comment "Represents a single row in a table with data items as direct parts."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom cif_:DATA_VALUE ], cif_:DATA_ITEMS ; core:prefLabel "ROW"@en . cif_:TABLE a owl:Class ; cif_:example """Syntactically a table instance in a CIF file may be written as loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,-z 3 -x,1/2+y,1/2-z 4 x,1/2-y,1/2+z but the actual TABLE individual is just the data rows: 1 x,y,z 2 -x,-y,-z 3 -x,1/2+y,1/2-z 4 x,1/2-y,1/2+z"""@en ; rdfs:comment "Represent a table with rows as spatial direct parts."@en, "The syntax of individual tables starts with the 'loop_' keyword followed by the name of the data items and then the actual data."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onProperty cif_:hasSpatialDirectPart ; owl:someValuesFrom cif_:ROW ], cif_:DDL_CONCEPT ; core:prefLabel "TABLE"@en . cif_:hasSpatialPart a owl:ObjectProperty, owl:TransitiveProperty ; rdfs:comment "A part of a whole."@en, "In a 4D mereology, 'hasSpatialPart' is a relation that isolates a proper part that extends itself in time within the overall lifetime of the whole, without covering the full spatial extension of the 4D whole (i.e. is not a temporal part)."@en ; core:prefLabel "hasSpatialPart"@en . cif_:Integer a owl:Class ; rdfs:comment "Positive or negative integer number."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onDataRange xsd:integer ; owl:onProperty cif_:hasIntegerData ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ], cif_:Single ; core:prefLabel "Integer"@en . cif_:Code a owl:Class ; rdfs:comment "Case-insensitive sequence of CIF2 characters containing no ASCII whitespace."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onDataRange xsd:string ; owl:onProperty cif_:hasSymbolData ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ], cif_:Single ; core:prefLabel "Code"@en . cif_:Text a owl:Class ; rdfs:comment "Case-sensitive sequence of CIF2 characters."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onDataRange xsd:string ; owl:onProperty cif_:hasSymbolData ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ], cif_:Single ; core:prefLabel "Text"@en . cif_:Real a owl:Class ; rdfs:comment "Floating-point real number."@en ; rdfs:subClassOf [ a owl:Restriction ; owl:onDataRange xsd:double ; owl:onProperty cif_:hasFloatData ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ], cif_:Single ; core:prefLabel "Real"@en . cif_:hasSpatialDirectPart a owl:AsymmetricProperty, owl:InverseFunctionalProperty, owl:IrreflexiveProperty, owl:ObjectProperty ; rdfs:comment "A non-transitive spatial part."@en, "Direct parthood was first introduced in the European Materials & Modelling Ontology (EMMO). It allows to introduce a hierarchy of well-defined levels of granularity."@en ; rdfs:subPropertyOf cif_:hasSpatialPart ; core:prefLabel "hasSpatialDirectPart"@en . [] a owl:AllDisjointClasses ; owl:members ( cif_:Array cif_:List cif_:Matrix cif_:Single cif_:Table ) .