Validation Log 2025-12-15 01:25:46.584829 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN004602/mwtab/txt Study ID: ST002822 Analysis ID: AN004602 File format: txt Status: Contains Validation Issues Number of Issues: 16 Number of Warnings: 10 Number of Value Errors: 15 Number of Consistency Errors: 0 Number of Format Errors: 1 Issue Log: Error: An empty value or a null value was detected for the subsection, "FLOW_GRADIENT", in the "CHROMATOGRAPHY" section. A legitimate value should be provided for this required subsection. Error: The value, "-", for the subsection, "FLOW_RATE", 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: ['mL/min', 'uL/min', 'μL/min']. Ignore this when more complicated descriptions are required. Error: The value, "-", for the subsection, "COLUMN_TEMPERATURE", 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: ['°C', 'C']. Ignore this when more complicated descriptions are required. Error: An empty value or a null value was detected for the subsection, "SOLVENT_A", in the "CHROMATOGRAPHY" section. A legitimate value should be provided for this required subsection. Error: An empty value or a null value was detected for the subsection, "SOLVENT_B", in the "CHROMATOGRAPHY" section. A legitimate value should be provided for this required subsection. Error: Unknown or invalid section, "FACTORS". Warning: The "INCHIKEY" column at position 6 in the METABOLITES table, matches a standard column name, "inchi_key". 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 "INCHIKEY" 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: 0 BSNJSZUDOMPYIR-DMDPBSJXBZ 1 AJFWREUFUPEYII-PAHWMLEVBX 2 AOWPAWLEXIYETE-UHFFFAOYAH 3 JTEYKUFKXGDTEU-UHFFFAOYAT 4 UFYGCFHQAXXBCF-UHFFFAOYAA 5 AKEUNCKRJATALU-UHFFFAOYAG 6 OYIFNHCXNCRBQI-UHFFFAOYAC 7 OTTXIFWBPRRYOG-UHFFFAOYAL 9 HWXBTNAVRSUOJR-UHFFFAOYAI 10 RGMMREBHCYXQMA-UHFFFAOYAG 11 YNOXCRMFGMSKIJ-DFZHHIFOAQ 12 RMHBODZVODTFAH-UHFFFAOYAP 13 RVKKEHPFHRUPIR-UHFFFAOYAU 14 LOUGYXZSURQALL-PWNYCUMCBK 15 LOUGYXZSURQALL-GBXIJSLDBN 17 NPOAOTPXWNWTSH-NUQVWONBAH 18 YVOMYDHIQVMMTA-UHFFFAOYAG 19 WHBMMWSBFZVSSR-UHFFFAOYAO 20 DBXBTMSZEOQQDU-REWHXWOFAW 21 WKRBKYFIJPGYQC-DUXPYHPUBK 22 SJZRECIVHVDYJC-UHFFFAOYAR 24 LIPOUNRJVLNBCD-UHFFFAOYAV 25 POJWUDADGALRAB-UHFFFAOYAE 26 NGEWQZIDQIYUNV-UHFFFAOYAS 27 COJBGNAUUSNXHX-UHFFFAOYAQ 28 KPGXRSRHYNQIFN-UHFFFAOYAN 31 JDEPVTUUCBFJIW-ZMDWBYSWBP 32 KDZOASGQNOPSCU-UHFFFAOYAF 33 FBFZPSQPKNIVMT-ZAFYKAAXBA 34 4000 35 BHYOQNUELFTYRT-WHYDCBPWBW 36 DRBBFCLWYRJSJZ-UHFFFAOYAF 37 RZZPDXZPRHQOCG-SARFZWSYBB 38 TXCIAUNLDRJGJZ-XERQLYKSBK 39 WVIMUEUQJFPNDK-UHFFFAOYAX 40 JPIJQSOTBSSVTP-PWNYCUMCBA 41 UKFXDFUAPNAMPJ-UHFFFAOYAZ 42 BJHIKXHVCXFQLS-UYFOZJQFBH 43 VZCYOOQTPOCHFL-OWOJBTEDBF 44 RGHNJXZEOKUKBD-SQOUGZDYBY 46 RGHNJXZEOKUKBD-SQOUGZDYBY 47 XHMJOUIAFHJHBW-QZABAPFNBN 48 WQZGKKKJIJFFOK-DVKNGEFBBQ 49 VFRROHXSMXFLSN-NGXFZYQLBX 50 IAJILQKETJEXLJ-QTBDOELSBX 51 JFCQEDHGNNZCLN-NUQVWONBAE 52 RBNPOMFGQQGHHO-UHFFFAOYAE 53 AWUCVROLDVIAJX-UHFFFAOYAM 54 JZNWSCPGTDBMEW-UHFFFAOYAI 55 LLCSXHMJULHSJN-UHFFFAOYAC 57 RGHNJXZEOKUKBD-NRXMZTRTBF 58 XIGSAGMEBXLVJJ-YFKPBYRVBI 59 VVIUBCNYACGLLV-UHFFFAOYAM 60 INAPMGSXUVUWAF-PTQMNWPWBP 61 ODBLHEXUDAPZAU-UHFFFAOYAX 62 LVHBHZANLOWSRM-UHFFFAOYAS 64 VZCYOOQTPOCHFL-UPHRSURJBG 65 OFOBLEOULBTSOW-UHFFFAOYAJ 66 FBPFZTCFMRRESA-UHFFFAOYAI 67 RGHNJXZEOKUKBD-MBMOQRBOBN 68 GZCGUPFRVQAUEE-KVTDHHQDBB 69 VFRROHXSMXFLSN-QPDBYLPOBX 70 ZIYVHBGGAOATLY-UHFFFAOYAT 71 CAAULPUQFIIOTL-UHFFFAOYAW 72 WXUAQHNMJWJLTG-UHFFFAOYAC 73 CDAISMWEOUEBRE-GPIVLXJGBG 74 OTCCIMWXFLJLIA-BYPYZUCNBM 75 FZLJPEPAYPUMMR-FMDGEEDCBJ 76 BRGMHAYQAZFZDJ-FMDGEEDCBV 77 RFMMMVDNIPUKGG-QUCRTXIXBK 78 OKJIRPAQVSHGFK-UHFFFAOYAB 79 CXJAAWRLVGAKDV-UHFFFAOYAS 80 PYUSHNKNPOHWEZ-YFKPBYRVBS 81 FDJKUWYYUZCUJX-UHFFFAOYAD 82 XDUHQPOXLUAVEE-PQIHXCHGBV 83 PXQPEWDEAKTCGB-UHFFFAOYAD 84 FKCRAVPPBFWEJD-XVFCMESIBQ 86 HXACOUQIXZGNBF-UHFFFAOYAG 87 LCTONWCANYUPML-REWHXWOFAD 88 HEBKCHPVOIAQTA-ZXFHETKHBG 89 QXKAIJAYHKCRRA-BXXZVTAOBP 90 YXJDFQJKERBOBM-TXICZTDVBQ 91 FNZLKVNUWIIPSJ-UHNVWZDZBC 93 PWCIUOASSAHGHI-WPZUCAASBB 94 4000 95 KDYFGRWQOYBRFD-UHFFFAOYAC 96 CZMRCDWAGMRECN-UGDNZRGBBE 97 JPIJQSOTBSSVTP-GBXIJSLDBD 98 KQTIIICEAUMSDG-UHFFFAOYAL 99 HSCJRCZFDFQWRP-ABVWGUQPBC 100 HSCJRCZFDFQWRP-JZMIEXBBBU 102 ISAKRJDGNUQOIC-UHFFFAOYAV 103 DJJCXFVJDGTHFX-FHLVPPQOBI 104 FNZLKVNUWIIPSJ-RFZPGFLSBM Warning: The "SUPER_PATHWAY" column at position 2 in the METABOLITES table, matches a standard column name, "pathway". 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 "SUB_PATHWAY" column at position 3 in the METABOLITES table, matches a standard column name, "pathway". 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 "PUBCHEM" column at position 12 in the METABOLITES table, matches a standard column name, "pubchem_id". 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 "KEGG" column at position 11 in the METABOLITES table, matches a standard column name, "kegg_id". 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 "HMDB" column at position 10 in the METABOLITES table, matches a standard column name, "hmdb_id". 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 "CHEMSPIDER" column at position 9 in the METABOLITES table, matches a standard column name, "chemspider_id". 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 "CAS" column at position 8 in the METABOLITES table, matches a standard column name, "cas_number". 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 "CAS" column at position 8 in the METABOLITES table, matches a standard column name, "cas_number", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 6 1118-90-7,542-32-5 28 328-50-7,22202-68-2,305-72-6 60 106032-59-1,573-35-3 65 26522-22-85-0,141-82-2 69 104872-94-8,70442-25-0 74 997-55-7,997-55-7 90 50-99-7,58459-37-3 91 18265-46-8,108321-99-9 99 137868-52-1,91183-98-1,2956-16-3