Validation Log 2025-12-14 21:03:09.450456 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000103/mwtab/txt Study ID: ST000065 Analysis ID: AN000103 File format: txt Status: Contains Validation Issues Number of Issues: 25 Number of Warnings: 8 Number of Value Errors: 20 Number of Consistency Errors: 1 Number of Format Errors: 3 Issue Log: Error: An empty value or a null value was detected for the subsection, "COLLECTION_SUMMARY", in the "COLLECTION" section. A legitimate value should be provided for this required subsection. Error: An empty value or a null value was detected for the subsection, "TREATMENT_SUMMARY", in the "TREATMENT" section. A legitimate value should be provided for this required subsection. Error: An empty value or a null value was detected for the subsection, "SAMPLEPREP_SUMMARY", in the "SAMPLEPREP" section. A legitimate value should be provided for this required subsection. Error: The value, "250°C", for the subsection, "ION_SOURCE_TEMPERATURE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['°C', 'C']. Ignore this when more complicated descriptions are required. Error: The value, "70eV", for the subsection, "IONIZATION_ENERGY", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['eV']. Ignore this when more complicated descriptions are required. Error: The value, "250°C", for the subsection, "SOURCE_TEMPERATURE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['°C', 'C']. Ignore this when more complicated descriptions are required. Error: The value, "1 ml/min", for the subsection, "FLOW_RATE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['mL/min', 'uL/min', 'μL/min']. Ignore this when more complicated descriptions are required. Error: The value, "50 - 330C", for the subsection, "COLUMN_TEMPERATURE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['°C', 'C']. Ignore this when more complicated descriptions are required. Error: The value, "0.5l", for the subsection, "SAMPLE_INJECTION", in the "CHROMATOGRAPHY" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['μL', 'uL']. Ignore this when more complicated descriptions are required. Error: The value, "7.7 PSI (initial condition)", for the subsection, "COLUMN_PRESSURE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['psi', 'bar']. Ignore this when more complicated descriptions are required. Error: The value, "50C ramped to 250C by 12C/s", for the subsection, "INJECTION_TEMPERATURE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['°C', 'C'] or "room temperature". Ignore this when more complicated descriptions are required. Error: The value, "230C", for the subsection, "TRANSFERLINE_TEMPERATURE", in the "CHROMATOGRAPHY" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['°C', 'C']. Ignore this when more complicated descriptions are required. Error: The value, "30 m length x 0.25 mm internal diameter", for the subsection, "SAMPLE_LOOP_SIZE", in the "CHROMATOGRAPHY" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['μL', 'uL']. Ignore this when more complicated descriptions are required. Error: The required property, "FLOW_GRADIENT", in the "CHROMATOGRAPHY" section is missing. Error: The required property, "SOLVENT_A", in the "CHROMATOGRAPHY" section is missing. Error: The required property, "SOLVENT_B", in the "CHROMATOGRAPHY" section is missing. Error: The following metabolites in the, MS_METABOLITE_DATA table were not found in the METABOLITES table: "1_5-anhydroglucitol" "2_3-dihydroxybutanoic acid NIST" "3_6-anhydro-D-galactose" "3_6-anhydro-D-glucose" "butane-2_3-diol NIST" Warning: The "inchi_key" column at position 6 in the METABOLITES table, matches a standard column name, "inchi_key", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 143 0 144 C00077 145 C00208 146 C00639 147 C02095 148 C06593 149 C00712 Warning: The "kegg_id" column at position 7 in the METABOLITES table, matches a standard column name, "kegg_id", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 1 0 4 0 15 0 34 0 77 0 95 0 112 0 Warning: The "ri" column at position 3 in the METABOLITES table, matches a standard column name, "retention_index". 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 "ri_type" column at position 4 in the METABOLITES table, matches a standard column name, "retention_index_type". 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 "ri_type" column at position 4 in the METABOLITES table, matches a standard column name, "retention_index_type", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 143 12665 144 6262 145 439186 146 5280363 147 439650 148 7768 149 445639 Warning: The standard column, "other_id", was found in the METABOLITES table as "other_id". If this column contains database IDs for standard databases such as KEGG, PubChem, HMDB, etc., it is recommended to make individual columns for these and not lump them together into a less descriptive "other_id" column. Warning: The "ri_type" column at position 4 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different. Warning: The "other_id_type" column at position 9 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different.