Validation Log 2025-12-14 23:47:45.029139 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN002963/mwtab/json Study ID: ST001827 Analysis ID: AN002963 File format: json Status: Contains Validation Issues Number of Issues: 19 Number of Warnings: 11 Number of Value Errors: 11 Number of Consistency Errors: 2 Number of Format Errors: 5 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. Error: The following metabolites in the, ["MS_METABOLITE_DATA"]["Data"] table were not found in the ["MS_METABOLITE_DATA"]["Metabolites"] table: "12_13-DiHOME" "1_2-dilinoleoyl-GPC (18:2/18:2)" "1_2-dilinoleoyl-GPE (18:2/18:2)*" "1_2-dipalmitoyl-GPC (16:0/16:0)" "1_2-dipalmitoyl-GPE (16:0/16:0)*" "1_2-dipalmitoyl-GPI (16:0/16:0)*" "1_3_7-trimethylurate" "1_3-dimethylurate" "1_5-anhydroglucitol (1_5-AG)" "1_7-dimethylurate" "2_2^-Methylenebis(6-tert-butyl-p-cresol)" "2_3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*" "2_3-dihydroxyisovalerate" "2_3-dihydroxypyridine" "(2_4 or 2_5)-dimethylphenol sulfate" "2_6-dihydroxybenzoic acid" "2^-deoxyinosine" "2^-deoxyuridine" "2^-O-methylcytidine" "2^-O-methyluridine" "2R_3R-dihydroxybutyrate" "2S_3R-dihydroxybutyrate" "3_4-dihydroxybutyrate" "3_4-methyleneheptanoate" "3_7-dimethylurate" "3beta_7alpha-dihydroxy-5-cholestenoate" "3beta_7beta-dihydroxy-5-cholestenoate" "5_6-dihydrothymine" "5_6-dihydrouridine" "5alpha-androstan-3alpha_17alpha-diol disulfate" "5alpha-androstan-3alpha_17alpha-diol monosulfate" "5alpha-androstan-3alpha_17beta-diol disulfate" "5alpha-androstan-3beta_17alpha-diol disulfate" "5alpha-androstan-3beta_17beta-diol disulfate" "5alpha-pregnan-3beta_20alpha-diol disulfate" "5alpha-pregnan-3beta_20alpha-diol monosulfate (2)" "5alpha-pregnan-3beta_20beta-diol monosulfate (1)" "5alpha-pregnan-3beta-ol_20-one sulfate" "9_10-DiHOME" "androstenediol (3alpha_ 17alpha) monosulfate (2)" "androstenediol (3alpha_ 17alpha) monosulfate (3)" "androstenediol (3beta_17beta) disulfate (1)" "androstenediol (3beta_17beta) disulfate (2)" "androstenediol (3beta_17beta) monosulfate (1)" "bilirubin (E_E)*" "bilirubin (E_Z or Z_E)*" "ceramide (d16:1/24:1_ d18:1/22:1)*" "ceramide (d18:1/14:0_ d16:1/16:0)*" "ceramide (d18:1/20:0_ d16:1/22:0_ d20:1/18:0)*" "ceramide (d18:2/24:1_ d18:1/24:2)*" "cys-gly_ oxidized" "diacylglycerol (14:0/18:1_ 16:0/16:1) [2]*" "diacylglycerol (16:1/18:2 [2]_ 16:0/18:3 [1])*" "glycosyl ceramide (d18:1/20:0_ d16:1/22:0)*" "glycosyl ceramide (d18:2/24:1_ d18:1/24:2)*" "hydroxy-N6_N6_N6-trimethyllysine*" "N1_N12-diacetylspermine" "N2-acetyl_N6-methyllysine" "N2-acetyl_N6_N6-dimethyllysine" "N2_N2-dimethylguanosine" "N6_N6-dimethyllysine" "N6_N6_N6-trimethyllysine" "N_N-dimethyl-5-aminovalerate" "N_N-dimethylalanine" "N_N_N-trimethyl-5-aminovalerate" "N_N_N-trimethyl-alanylproline betaine (TMAP)" "sphingomyelin (d17:1/14:0_ d16:1/15:0)*" "sphingomyelin (d17:1/16:0_ d18:1/15:0_ d16:1/17:0)*" "sphingomyelin (d17:2/16:0_ d18:2/15:0)*" "sphingomyelin (d18:0/18:0_ d19:0/17:0)*" "sphingomyelin (d18:0/20:0_ d16:0/22:0)*" "sphingomyelin (d18:1/14:0_ d16:1/16:0)*" "sphingomyelin (d18:1/17:0_ d17:1/18:0_ d19:1/16:0)" "sphingomyelin (d18:1/18:1_ d18:2/18:0)" "sphingomyelin (d18:1/19:0_ d19:1/18:0)*" "sphingomyelin (d18:1/20:0_ d16:1/22:0)*" "sphingomyelin (d18:1/20:1_ d18:2/20:0)*" "sphingomyelin (d18:1/20:2_ d18:2/20:1_ d16:1/22:2)*" "sphingomyelin (d18:1/21:0_ d17:1/22:0_ d16:1/23:0)*" "sphingomyelin (d18:1/22:1_ d18:2/22:0_ d16:1/24:1)*" "sphingomyelin (d18:1/22:2_ d18:2/22:1_ d16:1/24:2)*" "sphingomyelin (d18:1/24:1_ d18:2/24:0)*" "sphingomyelin (d18:1/25:0_ d19:0/24:1_ d20:1/23:0_ d19:1/24:0)*" "sphingomyelin (d18:2/14:0_ d18:1/14:1)*" "sphingomyelin (d18:2/16:0_ d18:1/16:1)*" "sphingomyelin (d18:2/21:0_ d16:2/23:0)*" "sphingomyelin (d18:2/23:0_ d18:1/23:1_ d17:1/24:1)*" "sphingomyelin (d18:2/24:1_ d18:1/24:2)*" "trigonelline (N^-methylnicotinate)" "X - 18249 - retired for 3_5-dichloro-2_6-dihydroxybenzoic acid" "X - 18914 - retired for 3-bromo-5-chloro-2_6-dihydroxybenzoic acid*" "X - 22764 - retired for branched-chain_ straight-chain_ or cyclopropyl 12:1 fatty acid*" Error: The following metabolites in the ["MS_METABOLITE_DATA"]["Metabolites"] table were not found in the ["MS_METABOLITE_DATA"]["Data"] table: "12,13-DiHOME" "1,2-dilinoleoyl-GPC (18:2/18:2)" "1,2-dilinoleoyl-GPE (18:2/18:2)*" "1,2-dipalmitoyl-GPC (16:0/16:0)" "1,2-dipalmitoyl-GPE (16:0/16:0)*" "1,2-dipalmitoyl-GPI (16:0/16:0)*" "1,3,7-trimethylurate" "1,3-dimethylurate" "1,5-anhydroglucitol (1,5-AG)" "1,7-dimethylurate" "2,2'-Methylenebis(6-tert-butyl-p-cresol)" "2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*" "2,3-dihydroxyisovalerate" "2,3-dihydroxypyridine" "(2,4 or 2,5)-dimethylphenol sulfate" "2,6-dihydroxybenzoic acid" "2'-deoxyinosine" "2'-deoxyuridine" "2'-O-methylcytidine" "2'-O-methyluridine" "2R,3R-dihydroxybutyrate" "2S,3R-dihydroxybutyrate" "3,4-dihydroxybutyrate" "3,4-methyleneheptanoate" "3,7-dimethylurate" "3beta,7alpha-dihydroxy-5-cholestenoate" "3beta,7beta-dihydroxy-5-cholestenoate" "5,6-dihydrothymine" "5,6-dihydrouridine" "5alpha-androstan-3alpha,17alpha-diol disulfate" "5alpha-androstan-3alpha,17alpha-diol monosulfate" "5alpha-androstan-3alpha,17beta-diol disulfate" "5alpha-androstan-3beta,17alpha-diol disulfate" "5alpha-androstan-3beta,17beta-diol disulfate" "5alpha-pregnan-3beta,20alpha-diol disulfate" "5alpha-pregnan-3beta,20alpha-diol monosulfate (2)" "5alpha-pregnan-3beta,20beta-diol monosulfate (1)" "5alpha-pregnan-3beta-ol,20-one sulfate" "9,10-DiHOME" "androstenediol (3alpha, 17alpha) monosulfate (2)" "androstenediol (3alpha, 17alpha) monosulfate (3)" "androstenediol (3beta,17beta) disulfate (1)" "androstenediol (3beta,17beta) disulfate (2)" "androstenediol (3beta,17beta) monosulfate (1)" "bilirubin (E,E)*" "bilirubin (E,Z or Z,E)*" "ceramide (d16:1/24:1, d18:1/22:1)*" "ceramide (d18:1/14:0, d16:1/16:0)*" "ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*" "ceramide (d18:2/24:1, d18:1/24:2)*" "cys-gly, oxidized" "diacylglycerol (14:0/18:1, 16:0/16:1) [2]*" "diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*" "glycosyl ceramide (d18:1/20:0, d16:1/22:0)*" "glycosyl ceramide (d18:2/24:1, d18:1/24:2)*" "hydroxy-N6,N6,N6-trimethyllysine*" "N1,N12-diacetylspermine" "N2-acetyl,N6-methyllysine" "N2-acetyl,N6,N6-dimethyllysine" "N2,N2-dimethylguanosine" "N6,N6-dimethyllysine" "N6,N6,N6-trimethyllysine" "N,N-dimethyl-5-aminovalerate" "N,N-dimethylalanine" "N,N,N-trimethyl-5-aminovalerate" "N,N,N-trimethyl-alanylproline betaine (TMAP)" "sphingomyelin (d17:1/14:0, d16:1/15:0)*" "sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*" "sphingomyelin (d17:2/16:0, d18:2/15:0)*" "sphingomyelin (d18:0/18:0, d19:0/17:0)*" "sphingomyelin (d18:0/20:0, d16:0/22:0)*" "sphingomyelin (d18:1/14:0, d16:1/16:0)*" "sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)" "sphingomyelin (d18:1/18:1, d18:2/18:0)" "sphingomyelin (d18:1/19:0, d19:1/18:0)*" "sphingomyelin (d18:1/20:0, d16:1/22:0)*" "sphingomyelin (d18:1/20:1, d18:2/20:0)*" "sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)*" "sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*" "sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*" "sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*" "sphingomyelin (d18:1/24:1, d18:2/24:0)*" "sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)*" "sphingomyelin (d18:2/14:0, d18:1/14:1)*" "sphingomyelin (d18:2/16:0, d18:1/16:1)*" "sphingomyelin (d18:2/21:0, d16:2/23:0)*" "sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*" "sphingomyelin (d18:2/24:1, d18:1/24:2)*" "trigonelline (N'-methylnicotinate)" "X - 18249 - retired for 3,5-dichloro-2,6-dihydroxybenzoic acid" "X - 18914 - retired for 3-bromo-5-chloro-2,6-dihydroxybenzoic acid*" "X - 22764 - retired for branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid*" Warning: The "ri" column at position 7 in the ["MS_METABOLITE_DATA"]["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 ["MS_METABOLITE_DATA"]["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. Error: Column(s) with no name were found in the ["MS_METABOLITE_DATA"]["Metabolites"] table. Warning: The "pubchem_id" column at position 2 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "inchi_key" column at position 3 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "other_id" column at position 5 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "other_id_type" column at position 6 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "ri" column at position 7 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "ri_type" column at position 8 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "moverz_quant" column at position 9 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "" column at position 10 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values.