Validation Log 2025-12-15 01:51:51.538558 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN005007/mwtab/json Study ID: ST003053 Analysis ID: AN005007 File format: json Status: Contains Validation Issues Number of Issues: 26 Number of Warnings: 11 Number of Value Errors: 22 Number of Consistency Errors: 2 Number of Format Errors: 0 Issue Log: Error: The value, "NA", in ["SUBJECT"]["AGE_OR_AGE_RANGE"] should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['weeks', 'days', 'months', 'years']. Ignore this when more complicated descriptions are required. Error: The value, "NA", in ["SUBJECT"]["WEIGHT_OR_WEIGHT_RANGE"] should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['g', 'mg', 'kg', 'lbs']. Ignore this when more complicated descriptions are required. Error: The value, "NA", in ["SUBJECT"]["HEIGHT_OR_HEIGHT_RANGE"] should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['cm', 'in']. Ignore this when more complicated descriptions are required. Error: The value, "Not applicable", in ["SUBJECT"]["GENDER"] should be one of "Male", "Female", "Male, Female", "Hermaphrodite", or "N/A". Ignore this when more complicated descriptions are required. Error: An empty value or a null value was detected in ["MS"]["COLLISION_ENERGY"]. Either a legitimate value should be provided for this key, or it should be removed altogether. Error: The value, "NA", in ["MS"]["COLLISION_GAS"] should be one of "Nitrogen" or "Argon". Ignore this when more complicated descriptions are required. Error: The value, "50", in ["MS"]["DRY_GAS_FLOW"] should be a number followed by a space with a unit (ex. "5 V") from the following list: ['L/hr', 'L/min']. Ignore this when more complicated descriptions are required. Error: The value, "120", in ["MS"]["DRY_GAS_TEMP"] 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, "300", in ["MS"]["SOURCE_TEMPERATURE"] 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, "0.3 ml/min", in ["CHROMATOGRAPHY"]["FLOW_RATE"] 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, "60 bar at starting conditions. 180 bar at %A", in ["CHROMATOGRAPHY"]["COLUMN_PRESSURE"] 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, "50% IPA", in ["CHROMATOGRAPHY"]["STRONG_WASH_VOLUME"] 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 following metabolites in the, ["MS_METABOLITE_DATA"]["Data"] table were not found in the ["MS_METABOLITE_DATA"]["Metabolites"] table: "13^-hydroxy-alpha-tocotrienol" "13-[O(2^)-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosanoate O(6^^)-acetate" "16-bromo-7E_15E-hexadecadien-5_13-diynoic acid" "1_8-Diazacyclotetradecane-2_9-dione" "(1R_6R)-6-Hydroxy-2-succinylcyclohexa-2_4-diene-1-carboxylate" "(1xi_3xi)-1_2_3_4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid" "2_2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran- 8-methanol diacetate" "2-(2-Methoxyphenyl)-4H-furo[2_3-h]-1-benzopyran-4-one" "2_3-Dimethylmaleate" "2^^_6^^-Di-O-acetylononin" "2_6-Dioxo-6-phenylhexanoate" "2_7-Anhydro-alpha-N-acetylneuraminic acid" "2-amino-4-oxo-6-(erythro-1^_2^_3^-trihydroxyprolyl)-7_8-dihydroxypteridine triphosphate" "2-hydroxy-3-carboxy-4_5-cyclopropylhex-5-enoate" "2-Methyl-4-propyl-1_3-oxathiane" "(2R_3S_6S)-2_6-diamino-3-hydroxy-diaminopimelate" "(2S_4S)-Monatin" "(2S_4S)-Monatin_1" "2-trans_6-trans-Farnesal" "3_3-dimethyl-2-oxobutyric acid 5-(6-aminopurin-9-yl)-3_4-dihydroxytetrahydrofuran-2-ylmethyl ester" "3_3^-Thiobispropanoic acid" "3_3^-Thiobispropanoic acid_2" "3_4-Dicaffeoyl-1_5-quinolactone" "3^_5^-Cyclic AMP" "3_5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid" "3^_5-Dihydroxy-3_4^_7-trimethoxyflavone" "3^-Deaminofusarochromanone" "(3S_5R)-carbapenam" "4^-Demethyldeoxypodophyllotoxin" "5_6-Dihydrothymine" "5_6-Dihydrouracil" "5_6-Dihydrouracil_2" "5_6-Dihydrouracil_3" "5_6-Dihydrouracil_4" "5_6-Dihydrouracil_5" "(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1_2_3_4-tetrahydro-1- naphthol" "(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1_2_3_4-tetrahydro-1- naphthol_1" "6_7-Dimethyl-8-(1-D-ribityl)lumazine" "6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1_2-cyclic phosphate" "6-Hydroxy-6a_12a-dehydro-alpha-toxicarol" "(9S_10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate" "Chondroitin 6^-sulfate" "D-Glucono-1_5-lactone" "Dihydro-4_4-dimethyl-2_3-Furandione" "di-trans_poly-cis-undecaprenyl phosphate" "dTDP-3-amino-2_3_6-trideoxy-D-threo-hexopyranos-4-ulose" "Epigallocatechin 5_3^_5^-trimethyl ether 3-O-gallate" "[FA (5:2)] 2_4-pentadienoic acid" "[FA dimethyl(13:0)] 2_5-dimethyl-2E-tridecenoic acid" "[FA hydroxy(11:2/11:2)] 2R_9R-dihydroxy-3S_4S_7S_8S-diepoxy-5E_10-undecadien-1-ol" "[FA hydroxy(11:2/11:2)] 2R_9R-dihydroxy-3S_4S_7S_8S-diepoxy-5E_10-undecadien-1-ol_2" "[FA trihydroxy(4:0)] 2_3_4-trihydroxy-butanoic acid" "[Fv trihydroxy_methyl(9:1)] 8-Chloro-5_7_4^-trihydroxy-3-C-methylflavanone" "Herbacetin 7-methyl ether 3-(2^^-(E)-feruloylglucoside)" "Hexahydro-2^_4-dimethylspiro[1_3-dithiolo[4_5-c]furan-2_3^(2^H)-furan]" "Luteorin 7-(6^^^^-acetylallosyl-(1->3)-glucosyl-(1->2)-glucoside" "methyl 8-[3_5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate" "N3-(4-methoxyfumaroyl)-L-2_3-diaminopropanoate" "Octane-1_8-diol" "Octane-1_8-diol_1" "[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol)" "[PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-myo-inositol)" "[PR] Ketomyxol/ 2^-Hydroxyflexixanthin" "(R)-2_3-Dihydroxy-3-methylbutanoate" "(R)-2_3-Dihydroxy-3-methylpentanoate" "(R_R)-Tartaric acid" "(R_R)-Tartaric acid_1" "[ST methoxy_hydroxy(3:0)] 2-methoxy_3-hydroxy-estra-1_3_5(10)-trien-17-one 3-D-glucuronide" "[ST oxo(3:0)] (5Z_7E)-(3S_23S)-24-oxo-9_10-seco-5_7_10(19)-cholestatriene-3_23_25-triol 23-D-glucuronide" "(Z)-N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4^-(tri-acetylrhamnoside)" Error: The following metabolites in the ["MS_METABOLITE_DATA"]["Metabolites"] table were not found in the ["MS_METABOLITE_DATA"]["Data"] table: "13'-hydroxy-alpha-tocotrienol" "13-[O(2')-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosanoate O(6'')-acetate" "16-bromo-7E,15E-hexadecadien-5,13-diynoic acid" "1,8-Diazacyclotetradecane-2,9-dione" "(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate" "(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid" "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran- 8-methanol diacetate" "2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one" "2,3-Dimethylmaleate" "2'',6''-Di-O-acetylononin" "2,6-Dioxo-6-phenylhexanoate" "2,7-Anhydro-alpha-N-acetylneuraminic acid" "2-amino-4-oxo-6-(erythro-1',2',3'-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate" "2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate" "2-Methyl-4-propyl-1,3-oxathiane" "(2R,3S,6S)-2,6-diamino-3-hydroxy-diaminopimelate" "(2S,4S)-Monatin" "(2S,4S)-Monatin_1" "2-trans,6-trans-Farnesal" "3,3-dimethyl-2-oxobutyric acid 5-(6-aminopurin-9-yl)-3,4-dihydroxytetrahydrofuran-2-ylmethyl ester" "3,3'-Thiobispropanoic acid" "3,3'-Thiobispropanoic acid_2" "3,4-Dicaffeoyl-1,5-quinolactone" "3',5'-Cyclic AMP" "3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid" "3',5-Dihydroxy-3,4',7-trimethoxyflavone" "3'-Deaminofusarochromanone" "(3S,5R)-carbapenam" "4'-Demethyldeoxypodophyllotoxin" "5,6-Dihydrothymine" "5,6-Dihydrouracil" "5,6-Dihydrouracil_2" "5,6-Dihydrouracil_3" "5,6-Dihydrouracil_4" "5,6-Dihydrouracil_5" "(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1- naphthol" "(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1- naphthol_1" "6,7-Dimethyl-8-(1-D-ribityl)lumazine" "6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate" "6-Hydroxy-6a,12a-dehydro-alpha-toxicarol" "(9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate" "Chondroitin 6'-sulfate" "D-Glucono-1,5-lactone" "Dihydro-4,4-dimethyl-2,3-Furandione" "di-trans,poly-cis-undecaprenyl phosphate" "dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose" "Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate" "[FA (5:2)] 2,4-pentadienoic acid" "[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid" "[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol" "[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol_2" "[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid" "[Fv trihydroxy,methyl(9:1)] 8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone" "Herbacetin 7-methyl ether 3-(2''-(E)-feruloylglucoside)" "Hexahydro-2',4-dimethylspiro[1,3-dithiolo[4,5-c]furan-2,3'(2'H)-furan]" "Luteorin 7-(6''''-acetylallosyl-(1->3)-glucosyl-(1->2)-glucoside" "methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate" "N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate" "Octane-1,8-diol" "Octane-1,8-diol_1" "[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)" "[PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol)" "[PR] Ketomyxol/ 2'-Hydroxyflexixanthin" "(R)-2,3-Dihydroxy-3-methylbutanoate" "(R)-2,3-Dihydroxy-3-methylpentanoate" "(R,R)-Tartaric acid" "(R,R)-Tartaric acid_1" "[ST methoxy,hydroxy(3:0)] 2-methoxy,3-hydroxy-estra-1,3,5(10)-trien-17-one 3-D-glucuronide" "[ST oxo(3:0)] (5Z,7E)-(3S,23S)-24-oxo-9,10-seco-5,7,10(19)-cholestatriene-3,23,25-triol 23-D-glucuronide" "(Z)-N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4'-(tri-acetylrhamnoside)" 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 column pair, "ri" and "ri_type", in the METABOLITES table should have data in the same rows, but at least one row has data in one column and nothing in the other. 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_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.