Validation Log 2025-12-14 23:15:24.823313 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN002345/mwtab/txt Study ID: ST001403 Analysis ID: AN002345 File format: txt Status: Contains Validation Issues Number of Issues: 19 Number of Warnings: 10 Number of Value Errors: 11 Number of Consistency Errors: 2 Number of Format Errors: 5 Issue Log: Error: The value, "0-18 years old", for the subsection, "AGE_OR_AGE_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: ['weeks', 'days', 'months', 'years']. Ignore this when more complicated descriptions are required. Error: The value, "Male and female", for the subsection, "GENDER", in the "SUBJECT" section should be one of "Male", "Female", "Male, Female", "Hermaphrodite", or "N/A". Ignore this when more complicated descriptions are required. Error: The required property, "FLOW_GRADIENT", in the "CHROMATOGRAPHY" section is missing. Error: The required property, "FLOW_RATE", in the "CHROMATOGRAPHY" section is missing. Error: The required property, "COLUMN_TEMPERATURE", 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: "12_13-DiHOME" "1_2-dilinoleoyl-GPC (18:2/18:2)" "1_2-dioleoyl-GPC (18:1/18:1)*" "1_2-dioleoyl-GPE (18:1/18:1)" "1_2-dioleoyl-GPG (18:1/18:1)" "1_2-dipalmitoyl-GPC (16:0/16:0)" "1_5-anhydroglucitol (1_5-AG)" "2^-deoxyadenosine 3^-monophosphate" "2^-deoxyadenosine 5^-monophosphate" "2^-deoxyguanosine" "2^-deoxyinosine" "2^-deoxyuridine" "3^-dephosphocoenzyme A" "4-androsten-3beta_17beta-diol disulfate (1)" "4-androsten-3beta_17beta-diol disulfate (2)" "4-androsten-3beta_17beta-diol monosulfate (1)" "5_6-DiHETrE" "8_9-DiHETrE" "9_10-DiHOME" "adenosine 2^-monophosphate (2^-AMP)" "adenosine 3^_5^-cyclic monophosphate (cAMP)" "adenosine 3^_5^-diphosphate" "adenosine 3^-monophosphate (3^-AMP)" "adenosine 5^-diphosphate (ADP)" "adenosine 5^-diphosphoribose (ADP-ribose)" "adenosine 5^-monophosphate (AMP)" "bilirubin (Z_Z)" "cytidine 3^-monophosphate (3^-CMP)" "cytidine 5^-diphosphocholine" "cytidine-5^-diphosphoethanolamine" "cytidine 5^-monophosphate (5^-CMP)" "glutamate_ gamma-methyl ester" "glutathione_ reduced (GSH)" "guanosine 2^-monophosphate (2^-GMP)*" "guanosine 3^-monophosphate (3^-GMP)" "inosine 5^-monophosphate (IMP)" "Isobar: fructose 1_6-diphosphate_ glucose 1_6-diphosphate_ myo-inositol 1_4 or 1_3-diphosphate" "myo-inositol diphosphate (1_4 or 1_3)" "N1_N12-diacetylspermine" "N2_N2-dimethylguanosine" "N2_N5-diacetylornithine" "N6_N6_N6-trimethyllysine" "sphingomyelin (d18:1/14:0_ d16:1/16:0)*" "sphingomyelin (d18:1/15:0_ d16:1/17:0)*" "sphingomyelin (d18:1/17:0_ d17:1/18:0_ d19:1/16:0)" "sphingomyelin (d18:1/18:1_ d18:2/18:0)" "sphingomyelin (d18:1/20:0_ d16:1/22:0)*" "sphingomyelin (d18:1/20:1_ d18:2/20:0)*" "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 (d18:1/24:1_ d18:2/24:0)*" "sphingomyelin (d18:2/16:0_ d18:1/16:1)*" "sphingomyelin (d18:2/23:0_ d18:1/23:1_ d17:1/24:1)*" "sphingomyelin (d18:2/24:1_ d18:1/24:2)*" "trigonelline (N^-methylnicotite)" "uridine 2^-monophosphate (2^-UMP)*" "uridine 3^-monophosphate (3^-UMP)" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "12,13-DiHOME" "1,2-dilinoleoyl-GPC (18:2/18:2)" "1,2-dioleoyl-GPC (18:1/18:1)*" "1,2-dioleoyl-GPE (18:1/18:1)" "1,2-dioleoyl-GPG (18:1/18:1)" "1,2-dipalmitoyl-GPC (16:0/16:0)" "1,5-anhydroglucitol (1,5-AG)" "2'-deoxyadenosine 3'-monophosphate" "2'-deoxyadenosine 5'-monophosphate" "2'-deoxyguanosine" "2'-deoxyinosine" "2'-deoxyuridine" "3'-dephosphocoenzyme A" "4-androsten-3beta,17beta-diol disulfate (1)" "4-androsten-3beta,17beta-diol disulfate (2)" "4-androsten-3beta,17beta-diol monosulfate (1)" "5,6-DiHETrE" "8,9-DiHETrE" "9,10-DiHOME" "adenosine 2'-monophosphate (2'-AMP)" "adenosine 3',5'-cyclic monophosphate (cAMP)" "adenosine 3',5'-diphosphate" "adenosine 3'-monophosphate (3'-AMP)" "adenosine 5'-diphosphate (ADP)" "adenosine 5'-diphosphoribose (ADP-ribose)" "adenosine 5'-monophosphate (AMP)" "bilirubin (Z,Z)" "cytidine 3'-monophosphate (3'-CMP)" "cytidine 5'-diphosphocholine" "cytidine-5'-diphosphoethanolamine" "cytidine 5'-monophosphate (5'-CMP)" "glutamate, gamma-methyl ester" "glutathione, reduced (GSH)" "guanosine 2'-monophosphate (2'-GMP)*" "guanosine 3'-monophosphate (3'-GMP)" "inosine 5'-monophosphate (IMP)" "Isobar: fructose 1,6-diphosphate, glucose 1,6-diphosphate, myo-inositol 1,4 or 1,3-diphosphate" "myo-inositol diphosphate (1,4 or 1,3)" "N1,N12-diacetylspermine" "N2,N2-dimethylguanosine" "N2,N5-diacetylornithine" "N6,N6,N6-trimethyllysine" "sphingomyelin (d18:1/14:0, d16:1/16:0)*" "sphingomyelin (d18:1/15:0, d16:1/17:0)*" "sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)" "sphingomyelin (d18:1/18:1, d18:2/18:0)" "sphingomyelin (d18:1/20:0, d16:1/22:0)*" "sphingomyelin (d18:1/20:1, d18:2/20:0)*" "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 (d18:1/24:1, d18:2/24:0)*" "sphingomyelin (d18:2/16:0, d18:1/16:1)*" "sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*" "sphingomyelin (d18:2/24:1, d18:1/24:2)*" "trigonelline (N'-methylnicotite)" "uridine 2'-monophosphate (2'-UMP)*" "uridine 3'-monophosphate (3'-UMP)" 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 "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" 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.