Validation Log 2025-12-14 23:38:23.646180 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN002802/mwtab/json Study ID: ST001720 Analysis ID: AN002803 File format: json Status: Contains Validation Issues Number of Issues: 15 Number of Warnings: 9 Number of Value Errors: 9 Number of Consistency Errors: 0 Number of Format Errors: 6 Issue Log: Error: The required property, "FLOW_GRADIENT", in ["CHROMATOGRAPHY"] is missing. Error: The required property, "FLOW_RATE", in ["CHROMATOGRAPHY"] is missing. Error: The required property, "COLUMN_TEMPERATURE", in ["CHROMATOGRAPHY"] is missing. Error: The required property, "SOLVENT_A", in ["CHROMATOGRAPHY"] is missing. Error: The required property, "SOLVENT_B", in ["CHROMATOGRAPHY"] is missing. Warning: The "Monoisotopic Mass" column at position 4 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "mass". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "Formula" column at position 3 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "formula", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 0 C9 H17 N O2 6 C7 H7 N O4 9 C7 H5 N O S 11 C9 H9 N O4 12 C8 H7 N O 15 C7 H7 N O3 17 C8 H7 N O4 S 18 C7 H11 N O3 21 C5 H5 N O 25 C5 H9 N O3 26 C8 H9 N O4 27 C10 H9 N O3 31 C9 H7 N O 34 C6 H11 N O4 37 C5 H11 N O2 41 C5 H13 N O 57 C17 H33 N O4 59 C18 H38 N O5 P 63 C7 H13 N O2 70 C9 H15 N O3 73 C4 H9 N O2 75 C6 H13 N O5 78 C21 H44 N O7 P 79 C2 H5 N O2 80 C26 H43 N O6 81 C26 H43 N O5 85 C7 H11 N O2 86 C13 H25 N O4 87 C9 H9 N O3 91 C10 H9 N O2 92 C11 H11 N O3 93 C11 H9 N O3 96 C7 H15 N O3 98 C9 H17 N O4 99 C3 H7 N O2 102 C4 H7 N O4 103 C7 H15 N O3 106 C5 H9 N O4 110 C6 H13 N O2 113 C6 H13 N O2 115 C5 H11 N O2 S 116 C9 H11 N O2 117 C5 H9 N O2 118 C3 H7 N O3 119 C4 H9 N O3 121 C9 H11 N O3 122 C5 H11 N O2 125 C5 H11 N O3 S 126 C11 H11 N O2 129 C8 H9 N O2 132 C7 H11 N O5 133 C5 H9 N O3 135 C8 H9 N O 145 C23 H45 N O4 146 C9 H17 N O5 149 C6 H11 N O2 150 C10 H19 N O4 152 C5 H7 N O3 154 C7 H5 N O4 156 C3 H7 N O2 159 C4 H9 N O3 S 165 C2 H7 N O3 S 166 C26 H45 N O6 S 170 C7 H7 N O2 171 C3 H9 N O 178 C4 H9 N O2 Warning: The "Pubchem ID" column at position 10 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "pubchem_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "KEGG ID" column at position 9 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "kegg_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "HMDB accession" column at position 6 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "hmdb_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "Chemspider ID" column at position 8 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "chemspider_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "CAS Number" column at position 7 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "cas_number". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "mzCloud ID" column at position 11 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "mzcloud_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "Retention time [min]" column at position 5 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "retention_time". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Error: The "Polarity" column in the ["MS_METABOLITE_DATA"]["Metabolites"] table indicates multiple polarities in a single analysis, and this should not be. A single mwTab file is supposed to be restricted to a single analysis. This means multiple MS runs under different settings should each be in their own file.