Validation Log 2025-12-15 02:49:57.338399 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN006206/mwtab/txt Study ID: ST003778 Analysis ID: AN006206 File format: txt Status: Contains Validation Issues Number of Issues: 21 Number of Warnings: 10 Number of Value Errors: 17 Number of Consistency Errors: 2 Number of Format Errors: 0 Issue Log: Error: The value, "NA", for the subsection, "WEIGHT_OR_WEIGHT_RANGE", in the "SUBJECT" section 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", for the subsection, "HEIGHT_OR_HEIGHT_RANGE", in the "SUBJECT" section 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: An empty value or a null value was detected for the subsection, "ANIMAL_LIGHT_CYCLE", in the "SUBJECT" section. Either a legitimate value should be provided for this subsection, or it should be removed altogether. Error: An empty value or a null value was detected for the subsection, "COLLISION_ENERGY", in the "MS" section. Either a legitimate value should be provided for this subsection, or it should be removed altogether. Error: The value, "NA", for the subsection, "COLLISION_GAS", in the "MS" section should be one of "Nitrogen" or "Argon". Ignore this when more complicated descriptions are required. Error: The value, "50", for the subsection, "DRY_GAS_FLOW", in the "MS" section 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", for the subsection, "DRY_GAS_TEMP", 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, "300", 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, "60 bar at starting conditions. 180 bar at %A", 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 following metabolites in the, MS_METABOLITE_DATA table were not found in the METABOLITES table: "11_14_17-Eicosatrienoic acid" "1-(2-hydroxy-4_6-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one" "1-(3_4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1_3-diol" "(1R_6R)-6-Hydroxy-2-succinylcyclohexa-2_4-diene-1-carboxylate" "2-(1_3-dioxoisoindolin-2-yl)ethanesulfonate" "2-(1-Methylpropyl)-4_6-dinitrophenol" "2_3_4_5-Tetrahydroxypentanoic acid" "2_3_4-trihydroxy-butanoic acid" "2_3_6-Trihydroxypyridine" "2_3-dihydro-3-hydroxy-anthranilate" "2_3-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-5_7-dimethoxy-4H-1- benzopyran-4-one" "2_4_6/3_5-Pentahydroxycyclohexanone" "2_6-dideoxy-2-acetamidino--L-galactose" "2_6-dideoxy-2-acetamidino--L-galactose_1" "2_6-dideoxy-2-acetamidino--L-galactose_2" "2_6-Dihydroxynicotinate" "2-Acetyl-1_5_6_7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one" "2-{[hydroxy(2_3_4_5-tetrahydroxyphenyl)methylidene]amino}acetic acid" "2-{[hydroxy(2_3_4_5-tetrahydroxyphenyl)methylidene]amino}acetic acid_1" "2-Hydroxy-2_4-pentadienoate" "2-hydroxy-3-carboxy-4_5-cyclopropylhex-5-enoate" "2-Hydroxy-6-oxonona-2_4-diene-1_9-dioate" "2-Hydroxyhepta-2_4-dienedioate" "2^-hydroxypyridoxol" "2^-hydroxypyridoxol_1" "3-(2_3-dihydroxyphenyl)propanoic acid" "3-(3_4-Dihydroxyphenyl)lactic acid" "3-(3_4-Dihydroxyphenyl)lactic acid_1" "3_3^-Thiobispropanoic acid" "3_4-Dehydrothiomorpholine-3-carboxylate" "3_4-Dihydroxyphenylacetaldehyde" "3_5/4-Trihydroxycyclohexa-1_2-dione" "3_5_6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one" "3_5_6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one_1" "3_5-Dihydroxyanthranilate" "3-amino-2_3-dideoxy-scyllo-inosose" "3-Hydroxy-2-methylpyridine-4_5-dicarboxylate" "3-hydroxy-3-carboxy-4_5-cyclopropylhex-5-enoate" "3^-UMP" "(4-ethyl-2_6-dihydroxyphenyl)oxidanesulfonic acid" "5_12-dihydroperoxy-6_8_10_14-eicosatetraenoic acid" "5-(2^-Carboxyethyl)-4_6-dihydroxypicolinate" "5-(2^-Formylethyl)-4_6-dihydroxypicolinate" "5-(3_4-dihydroxyphenyl)-4-(sulfooxy)pentanoic acid" "5-(3_4-dihydroxyphenyl)-4-(sulfooxy)pentanoic acid_1" "5_6-Dihydroxy-3-methyl-2-oxo-1_2-dihydroquinoline" "5-Carboxy-2^-deoxyuridine" "(5-hydroxy-7-methoxy-2_2-dimethyl-3_4-dihydro-2H-1-benzopyran-4-yl)oxidanesulfonic acid" "6-(4-carboxy-2-hydroxy-6-methoxyphenoxy)-3_4_5-trihydroxyoxane-2-carboxylic acid" "6-deoxy-6-sulfo-D-glucono-1_5-lactone" "7_8-Dihydro-7_8-dihydroxykynurenate" "7-Methyl-2-hydroxy-6-oxoocta-2_4-dienoate" "But-1-ene-1_2_4-tricarboxylate" "D-Man-4_6-pyruvate" "oxo-1-carboxy-5_6-dihydrothiopyranpropanoate S-oxide" "(R) 2_3-Dihydroxy-3-methylvalerate" "Rhamnono-1_4-lactone" "Xylono-1_5-lactone" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "11,14,17-Eicosatrienoic acid" "1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one" "1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol" "(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate" "2-(1,3-dioxoisoindolin-2-yl)ethanesulfonate" "2-(1-Methylpropyl)-4,6-dinitrophenol" "2,3,4,5-Tetrahydroxypentanoic acid" "2,3,4-trihydroxy-butanoic acid" "2,3,6-Trihydroxypyridine" "2,3-dihydro-3-hydroxy-anthranilate" "2,3-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1- benzopyran-4-one" "2,4,6/3,5-Pentahydroxycyclohexanone" "2,6-dideoxy-2-acetamidino--L-galactose" "2,6-dideoxy-2-acetamidino--L-galactose_1" "2,6-dideoxy-2-acetamidino--L-galactose_2" "2,6-Dihydroxynicotinate" "2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one" "2-{[hydroxy(2,3,4,5-tetrahydroxyphenyl)methylidene]amino}acetic acid" "2-{[hydroxy(2,3,4,5-tetrahydroxyphenyl)methylidene]amino}acetic acid_1" "2-Hydroxy-2,4-pentadienoate" "2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate" "2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate" "2-Hydroxyhepta-2,4-dienedioate" "2'-hydroxypyridoxol" "2'-hydroxypyridoxol_1" "3-(2,3-dihydroxyphenyl)propanoic acid" "3-(3,4-Dihydroxyphenyl)lactic acid" "3-(3,4-Dihydroxyphenyl)lactic acid_1" "3,3'-Thiobispropanoic acid" "3,4-Dehydrothiomorpholine-3-carboxylate" "3,4-Dihydroxyphenylacetaldehyde" "3,5/4-Trihydroxycyclohexa-1,2-dione" "3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one" "3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one_1" "3,5-Dihydroxyanthranilate" "3-amino-2,3-dideoxy-scyllo-inosose" "3-Hydroxy-2-methylpyridine-4,5-dicarboxylate" "3-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate" "3'-UMP" "(4-ethyl-2,6-dihydroxyphenyl)oxidanesulfonic acid" "5,12-dihydroperoxy-6,8,10,14-eicosatetraenoic acid" "5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate" "5-(2'-Formylethyl)-4,6-dihydroxypicolinate" "5-(3,4-dihydroxyphenyl)-4-(sulfooxy)pentanoic acid" "5-(3,4-dihydroxyphenyl)-4-(sulfooxy)pentanoic acid_1" "5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline" "5-Carboxy-2'-deoxyuridine" "(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)oxidanesulfonic acid" "6-(4-carboxy-2-hydroxy-6-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid" "6-deoxy-6-sulfo-D-glucono-1,5-lactone" "7,8-Dihydro-7,8-dihydroxykynurenate" "7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate" "But-1-ene-1,2,4-tricarboxylate" "D-Man-4,6-pyruvate" "oxo-1-carboxy-5,6-dihydrothiopyranpropanoate S-oxide" "(R) 2,3-Dihydroxy-3-methylvalerate" "Rhamnono-1,4-lactone" "Xylono-1,5-lactone" 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 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. Warning: The "pubchem_id" column at position 2 in the METABOLITES table has all null values. 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_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.