Validation Log 2025-12-14 21:17:46.865516 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000377/mwtab/txt Study ID: ST000242 Analysis ID: AN000377 File format: txt Status: Contains Validation Issues Number of Issues: 19 Number of Warnings: 10 Number of Value Errors: 9 Number of Consistency Errors: 2 Number of Format Errors: 5 Issue Log: Error: An empty value or a null value was detected for the subsection, "ADDRESS", in the "STUDY" section. A legitimate value should be provided for this required subsection. Error: An empty value or a null value was detected for the subsection, "PHONE", in the "STUDY" section. A legitimate value should be provided for this required subsection. 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: "1^H-5alpha-Cholest-2-eno[3_2-b]indole" "20_21_21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1_3_5(10)_20-tetraen-17-ol" "3-(7^-Methylthio)heptylmalic acid" "6-Imino-5-oxocyclohexa-1_3-dienecarboxylate" "alpha_beta-Dihydroxyethyl-TPP" "CerP(d18:1/20:0)_1" "DG(17:2(9Z_12Z)/20:5(5Z_8Z_11Z_14Z_17Z)/0:0)[iso2]" "Erythrono-1_4-lactone" "Ingenol 3_20-dibenzoate" "Luteolin 7_3^-digalacturonide" "methyl 10_12_13_15-bisepidioxy-16-hydroperoxy-8E-octadecenoate" "MID42085:(6RS)-6_19-epidioxy-24_24-difluoro-25-hydroxy-6_19-dihydrovitamin D3 / (6RS)-6_19-epidioxy-" "MID42333:24_24-difluoro-1?_25-dihydroxy-26_27-dimethylvitamin D3 / 24_24-difluoro-1?_25-dihydroxy-26" "MID42395:26_27-diethyl-1?_25-dihydroxy-22-thiavitamin D3 / 26_27-diethyl-1?_25-dihydroxy-22-thiachol" "MID42466:11?-(4-dimethylaminophenyl)-1?_25-dihydroxyvitamin D3 / 11?-(4-dimethylaminophenyl)-1?_25-d" "N-acyl capnines_1" "N_N-Dimethyltryptamine (DMT)" "Patuletin 3-(6^^-(E)-feruloylglucoside)" "Patuletin 3-(6^^-(E)-feruloylglucoside)_1" "PE(14:0/22:2(13Z_16Z))" "PE(17:2(9Z_12Z)/20:0)" "PE(17:2(9Z_12Z)/20:0)_1" "PG(20:5(5Z_8Z_11Z_14Z_17Z)/0:0)" "PI(20:4(5Z_8Z_11Z_14Z)/0:0)" "Pratensin A_1" "PS(18:3(6Z_9Z_12Z)/19:1(9Z))" "PS(22:0/20:2(11Z_14Z))" "PS(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/19:0)" "PS(O-16:0/12:0)_1" "Quercetin 3-(6^^-malonylglucoside)-7-glucoside" "Tricetin 3^-methyl ether 7_5^-diglucuronide" "Tyrphostin B44 (-)_1" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "1'H-5alpha-Cholest-2-eno[3,2-b]indole" "3-(7'-Methylthio)heptylmalic acid" "CerP(d18:1/20:0)_2" "Luteolin 7,3'-digalacturonide" "N-acyl capnines_2" "Patuletin 3-(6''-(E)-feruloylglucoside)" "Patuletin 3-(6''-(E)-feruloylglucoside)_2" "PE(17:2(9Z,12Z)/20:0)_2" "Pratensin A_2" "PS(O-16:0/12:0)_2" "Quercetin 3-(6''-malonylglucoside)-7-glucoside" "Tricetin 3'-methyl ether 7,5'-diglucuronide" "Tyrphostin B44 (-)_2" Warning: The "inchi_key" column at position 6 in the METABOLITES table, matches a standard column name, "inchi_key", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 257 C05551 287 C08673 303 C08673 353 C05551 370 C16672 427 C09521 435 C00431 437 C00350 443 C00837 457 C05551 471 C00431 502 C12381 503 C16672 505 C00350 523 C11012 525 C18363 554 C15758 557 C12244 589 C18873 600 C17231 615 C00431 620 C05306 654 C00413 760 C08673 771 C17708 790 C01683 805 C00780 850 C17708 896 C06540 917 C00413 932 C05551 959 C15733 979 C00413 1181 C00242 1256 C02420 1300 C14308 1542 C15445 1611 C08302 1706 C00246 1828 C00350 1976 C09869 2102 C14758 2117 C00380 2119 C00380 2126 C04663 Warning: The "ri" column at position 3 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 4 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, "other_id" and "other_id_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 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 5 in the METABOLITES table has all null values. Warning: The "other_id" column at position 8 in the METABOLITES table has all null values. Warning: The "inchi_key" column at position 6 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different. Warning: The "kegg_id" column at position 7 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different.