Validation Log 2025-12-15 01:15:57.469086 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN004470/mwtab/txt Study ID: ST002754 Analysis ID: AN004470 File format: txt Status: Contains Validation Issues Number of Issues: 16 Number of Warnings: 9 Number of Value Errors: 13 Number of Consistency Errors: 2 Number of Format Errors: 0 Issue Log: Error: An empty value or a null value was detected for the subsection, "FLOW_GRADIENT", in the "CHROMATOGRAPHY" section. A legitimate value should be provided for this required subsection. Error: The value, "-", 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, "-", 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: An empty value or a null value was detected for the subsection, "SOLVENT_A", in the "CHROMATOGRAPHY" section. A legitimate value should be provided for this required subsection. Error: An empty value or a null value was detected for the subsection, "SOLVENT_B", in the "CHROMATOGRAPHY" section. A legitimate value should be provided for this required subsection. Error: The following metabolites in the, MS_METABOLITE_DATA table were not found in the METABOLITES table: "12_13-DiHOME" "1_5-anhydroglucitol (1_5-AG)" "2_3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*" "2_3-diphosphoglycerate" "2_4-di-tert-butylphenol" "2_8-quinolinediol sulfate" "2^-deoxyuridine" "2^-O-methyluridine" "3-bromo-5-chloro-2_6-dihydroxybenzoic acid*" "5_6-dihydrouracil" "5_6-dihydrouridine" "9_10-DiHOME" "bilirubin degradation product_ C16H18N2O5 (2)**" "bilirubin degradation product_ C16H18N2O5 (3)**" "bilirubin degradation product_ C17H18N2O4 (1)**" "bilirubin degradation product_ C17H18N2O4 (2)**" "bilirubin degradation product_ C17H18N2O4 (3)**" "bilirubin degradation product_ C17H20N2O5 (1)**" "bilirubin degradation product_ C17H20N2O5 (2)**" "branched-chain_ straight-chain_ or cyclopropyl 10:1 fatty acid (1)*" "branched-chain_ straight-chain_ or cyclopropyl 10:1 fatty acid (2)*" "branched-chain_ straight-chain_ or cyclopropyl 12:1 fatty acid*" "cis-3_4-methyleneheptanoylglycine" "N2_N5-diacetylornithine" "N2_N6-diacetyllysine" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "12,13-DiHOME" "1,5-anhydroglucitol (1,5-AG)" "2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*" "2,3-diphosphoglycerate" "2,4-di-tert-butylphenol" "2,8-quinolinediol sulfate" "2'-deoxyuridine" "2'-O-methyluridine" "3-bromo-5-chloro-2,6-dihydroxybenzoic acid*" "5,6-dihydrouracil" "5,6-dihydrouridine" "9,10-DiHOME" "bilirubin degradation product, C16H18N2O5 (2)**" "bilirubin degradation product, C16H18N2O5 (3)**" "bilirubin degradation product, C17H18N2O4 (1)**" "bilirubin degradation product, C17H18N2O4 (2)**" "bilirubin degradation product, C17H18N2O4 (3)**" "bilirubin degradation product, C17H20N2O5 (1)**" "bilirubin degradation product, C17H20N2O5 (2)**" "branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)*" "branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (2)*" "branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid*" "cis-3,4-methyleneheptanoylglycine" "N2,N5-diacetylornithine" "N2,N6-diacetyllysine" Warning: The "ri" column at position 7 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 8 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 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 "inchi_key" column at position 3 in the METABOLITES table has all null values. Warning: The "other_id" column at position 5 in the METABOLITES table has all null values. Warning: The "other_id_type" column at position 6 in the METABOLITES table has all null values. Warning: The "ri" column at position 7 in the METABOLITES table has all null values. Warning: The "ri_type" column at position 8 in the METABOLITES table has all null values. Warning: The "moverz_quant" column at position 9 in the METABOLITES table has all null values.