Validation Log 2025-12-15 02:12:47.689048 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN005423/mwtab/txt Study ID: ST003311 Analysis ID: AN005423 File format: txt Status: Contains Validation Issues Number of Issues: 12 Number of Warnings: 6 Number of Value Errors: 11 Number of Consistency Errors: 0 Number of Format Errors: 0 Issue Log: 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: 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, "NA", 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, "80 - 350", 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. Warning: The "Quant mass" column at position 4 in the METABOLITES table, matches a standard column name, "mass". 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 "SMILES" column at position 6 in the METABOLITES table, matches a standard column name, "smiles", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 13 Z artifact 67 Z artifact 129 OC(C(CC(O)=O)C(O)=O)C(O)=O & C(C(=O)O)C(CC(=O)... 144 [H][C@@](O)(CO)[C@]([H])(O)[C@]([H])(O)C(=O)CO... 153 [H]C1(O)O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)... 172 [H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)C(=O)CO &... Warning: The "pubchem identifier" column at position 5 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 "pubchem identifier" column at position 5 in the METABOLITES table, matches a standard column name, "pubchem_id", 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 CRMAIVBWLODODC-UHFFFAOYSA-N 1 AEMRFAOFKBGASW-UHFFFAOYSA-N 2 AEMRFAOFKBGASW-UHFFFAOYSA-N 3 ZOCHHNOQQHDWHG-UHFFFAOYNA-N 4 QPJVMBTYPHYUOC-UHFFFAOYSA-N 5 QNAYBMKLOCPYGJ-REOHCLBHSA-N 6 AVXURJPOCDRRFD-UHFFFAOYSA-N 7 QNAYBMKLOCPYGJ-UHFFFAOYSA-N 8 HQABUPZFAYXKJW-UHFFFAOYSA-N 9 XNCNNDVCAUWAIT-UHFFFAOYSA-N 10 AFENDNXGAFYKQO-UHFFFAOYSA-N 11 FSYKKLYZXJSNPZ-UHFFFAOYSA-N 12 MUBZPKHOEPUJKR-UHFFFAOYSA-N 13 Z artifact 14 CJEVAYSVMDKECV-UHFFFAOYSA-N 15 HNJBEVLQSNELDL-UHFFFAOYSA-N 16 WHBMMWSBFZVSSR-GSVOUGTGSA-N 17 GCNTZFIIOFTKIY-UHFFFAOYSA-N 18 WHBMMWSBFZVSSR-UHFFFAOYNA-N 19 CAAULPUQFIIOTL-UHFFFAOYSA-N 20 OFOBLEOULBTSOW-UHFFFAOYSA-N 21 FGTJJHCZWOVVNH-UHFFFAOYSA-N 22 KZSNJWFQEVHDMF-UHFFFAOYSA-N 23 IJXHLVMUNBOGRR-UHFFFAOYSA-N 24 XSQUKJJJFZCRTK-UHFFFAOYSA-N 25 XPPKVPWEQAFLFU-UHFFFAOYSA-N 26 XSQUKJJJFZCRTK-UHFFFAOYSA-N 27 XSQUKJJJFZCRTK-UHFFFAOYSA-N 28 XSQUKJJJFZCRTK-UHFFFAOYSA-N 29 XSQUKJJJFZCRTK-UHFFFAOYSA-N 30 MTCFGRXMJLQNBG-REOHCLBHSA-N 31 SOWBFZRMHSNYGE-UHFFFAOYSA-N 32 WPYMKLBDIGXBTP-UHFFFAOYSA-N 33 XPPKVPWEQAFLFU-UHFFFAOYSA-N 34 XSQUKJJJFZCRTK-UHFFFAOYSA-N 35 HZAXFHJVJLSVMW-UHFFFAOYSA-N 36 SOWBFZRMHSNYGE-UHFFFAOYSA-N 37 SOWBFZRMHSNYGE-UHFFFAOYSA-N 38 NBIIXXVUZAFLBC-UHFFFAOYSA-N 39 ROHFNLRQFUQHCH-YFKPBYRVSA-N 40 XPPKVPWEQAFLFU-UHFFFAOYSA-N 41 NBIIXXVUZAFLBC-UHFFFAOYSA-N 42 IQVAERDLDAZARL-UHFFFAOYNA-N 43 HZAXFHJVJLSVMW-UHFFFAOYSA-N 44 ROHFNLRQFUQHCH-UHFFFAOYSA-N 45 PEDCQBHIVMGVHV-UHFFFAOYSA-N 46 NBIIXXVUZAFLBC-UHFFFAOYSA-N 47 NBIIXXVUZAFLBC-UHFFFAOYSA-N 48 NBIIXXVUZAFLBC-UHFFFAOYSA-N 49 ZIYVHBGGAOATLY-UHFFFAOYSA-N 50 AGPKZVBTJJNPAG-UHFFFAOYSA-N 51 KDYFGRWQOYBRFD-UHFFFAOYSA-N 52 ONIBWKKTOPOVIA-UHFFFAOYSA-N 53 DHMQDGOQFOQNFH-UHFFFAOYSA-N 54 DHMQDGOQFOQNFH-UHFFFAOYSA-N 55 KDYFGRWQOYBRFD-UHFFFAOYSA-N 56 YRHYCMZPEVDGFQ-UHFFFAOYSA-N 57 VZCYOOQTPOCHFL-OWOJBTEDSA-N 58 MTCFGRXMJLQNBG-REOHCLBHSA-N 59 ISAKRJDGNUQOIC-UHFFFAOYSA-N 60 VZCYOOQTPOCHFL-OWOJBTEDSA-N 61 FBUKVWPVBMHYJY-UHFFFAOYSA-N 62 MTCFGRXMJLQNBG-UHFFFAOYSA-N 63 QNAYBMKLOCPYGJ-UHFFFAOYSA-N 64 LPNBBFKOUUSUDB-UHFFFAOYSA-N 65 AYFVYJQAPQTCCC-HRFVKAFMSA-N 66 UGJBHEZMOKVTIM-UHFFFAOYSA-N 67 Z artifact 68 AYFVYJQAPQTCCC-UHFFFAOYSA-N 69 JFCQEDHGNNZCLN-UHFFFAOYSA-N 70 ZBCBWPMODOFKDW-UHFFFAOYSA-N 71 UCMIRNVEIXFBKS-UHFFFAOYSA-N 72 UCMIRNVEIXFBKS-UHFFFAOYSA-N 73 UKAUYVFTDYCKQA-UHFFFAOYSA-N 74 BJEPYKJPYRNKOW-UHFFFAOYNA-N 75 DFPAKSUCGFBDDF-UHFFFAOYSA-N 76 DFPAKSUCGFBDDF-UHFFFAOYSA-N 77 BJEPYKJPYRNKOW-UHFFFAOYSA-N 78 CKLJMWTZIZZHCS-UHFFFAOYNA-N 79 CKLJMWTZIZZHCS-UHFFFAOYNA-N 80 ODHCTXKNWHHXJC-UHFFFAOYNA-N 81 BTCSSZJGUNDROE-UHFFFAOYSA-N 82 UQDUPQYQJKYHQI-UHFFFAOYSA-N 83 BTCSSZJGUNDROE-UHFFFAOYSA-N 84 BTCSSZJGUNDROE-UHFFFAOYSA-N 85 FFEARJCKVFRZRR-UHFFFAOYSA-N 86 CKLJMWTZIZZHCS-UHFFFAOYSA-N 87 ODHCTXKNWHHXJC-UHFFFAOYSA-N 88 ODHCTXKNWHHXJC-UHFFFAOYSA-N 89 BTCSSZJGUNDROE-UHFFFAOYSA-N 90 BTCSSZJGUNDROE-UHFFFAOYSA-N 91 DDRJAANPRJIHGJ-UHFFFAOYSA-N 92 DDRJAANPRJIHGJ-UHFFFAOYSA-N 93 JPIJQSOTBSSVTP-UHFFFAOYSA-N 94 LXRUAYBIUSUULX-HRFVKAFMSA-N 95 WHUUTDBJXJRKMK-VKHMYHEASA-N 96 VHJLVAABSRFDPM-IMJSIDKUSA-N 97 WHUUTDBJXJRKMK-VKHMYHEASA-N 98 VVIUBCNYACGLLV-UHFFFAOYSA-N 99 WHUUTDBJXJRKMK-UHFFFAOYSA-N 100 FJKROLUGYXJWQN-UHFFFAOYSA-N 101 COLNVLDHVKWLRT-UHFFFAOYSA-N 102 OTCCIMWXFLJLIA-BYPYZUCNSA-N 103 POULHZVOKOAJMA-UHFFFAOYSA-N 104 FEWJPZIEWOKRBE-UHFFFAOYSA-N 105 OTCCIMWXFLJLIA-BYPYZUCNSA-N 106 JDDRRLKCWBOIEK-UHFFFAOYSA-N 107 OTCCIMWXFLJLIA-BYPYZUCNSA-N 108 XOAAWQZATWQOTB-UHFFFAOYSA-N 109 ADVPTQAUNPRNPO-UHFFFAOYSA-N 110 PYMYPHUHKUWMLA-LMVFSUKVSA-N 111 ZAZKJZBWRNNLDS-UHFFFAOYSA-N 112 ZAZKJZBWRNNLDS-UHFFFAOYSA-N 113 OYIFNHCXNCRBQI-UHFFFAOYSA-N 114 GTZCVFVGUGFEME-UHFFFAOYSA-N 115 DHCLVCXQIBBOPH-UHFFFAOYSA-N 116 HXXFSFRBOHSIMQ-VFUOTHLCSA-N 117 HEBKCHPVOIAQTA-QWWZWVQMSA-N 118 HEBKCHPVOIAQTA-UHFFFAOYSA-N 119 SUHOOTKUPISOBE-UHFFFAOYSA-N 120 OSJPPGNTCRNQQC-UHFFFAOYNA-N 121 JXOHGGNKMLTUBP-UHFFFAOYNA-N 122 ZDXPYRJPNDTMRX-UHFFFAOYSA-N 123 RFMMMVDNIPUKGG-UHFFFAOYSA-N 124 QXKAIJAYHKCRRA-NUNKFHFFSA-N 125 KKEYFWRCBNTPAC-UHFFFAOYSA-N 126 SUHOOTKUPISOBE-UHFFFAOYSA-N 127 FDGQSTZJBFJUBT-UHFFFAOYSA-N 128 VHRGRCVQAFMJIZ-UHFFFAOYSA-N 129 ODBLHEXUDAPZAU-UHFFFAOYSA-N & KRKNYBCHXYNGOX-U... 130 CFFZDZCDUFSOFZ-UHFFFAOYSA-N 131 UZUTZCYXYDHJAT-UHFFFAOYSA-N 132 TUNFSRHWOTWDNC-UHFFFAOYSA-N 133 TUNFSRHWOTWDNC-UHFFFAOYSA-N 134 BZQFBWGGLXLEPQ-UHFFFAOYSA-N 135 ZGXJTSGNIOSYLO-UHFFFAOYSA-N 136 SBJKKFFYIZUCET-JLAZNSOCSA-N 137 WQZGKKKJIJFFOK-UHFFFAOYNA-N 138 MPCAJMNYNOGXPB-SLPGGIOYSA-N 139 GFFGJBXGBJISGV-UHFFFAOYSA-N 140 FBPFZTCFMRRESA-UNTFVMJOSA-N 141 WQZGKKKJIJFFOK-UHFFFAOYNA-N 142 CXMXRPHRNRROMY-UHFFFAOYSA-N 143 WQZGKKKJIJFFOK-SVZMEOIVSA-N 144 BJHIKXHVCXFQLS-PQLUHFTBSA-N & BJHIKXHVCXFQLS-U... 145 BJHIKXHVCXFQLS-PYWDMBMJSA-N 146 FBPFZTCFMRRESA-UHFFFAOYNA-N 147 FLIACVVOZYBSBS-UHFFFAOYSA-N 148 WQZGKKKJIJFFOK-SVZMEOIVSA-N 149 KDXKERNSBIXSRK-UHFFFAOYSA-N 150 MSWZFWKMSRAUBD-GASJEMHNSA-N 151 HNDVDQJCIGZPNO-YFKPBYRVSA-N 152 WQEPLUUGTLDZJY-UHFFFAOYSA-N 153 WQZGKKKJIJFFOK-SVZMEOIVSA-N & WQZGKKKJIJFFOK-G... 154 OUYCCCASQSFEME-UHFFFAOYSA-N 155 AEMOLEFTQBMNLQ-YMDCURPLSA-N 156 NDJKXXJCMXVBJW-UHFFFAOYSA-N 157 FBPFZTCFMRRESA-KVTDHHQDSA-N 158 RGHNJXZEOKUKBD-MBMOQRBOSA-N 159 CIWBSHSKHKDKBQ-JLAZNSOCSA-N 160 GHOKWGTUZJEAQD-ZETCQYMHSA-N 161 LRFVTYWOQMYALW-UHFFFAOYSA-N 162 IPCSVZSSVZVIGE-UHFFFAOYSA-N 163 IPCSVZSSVZVIGE-UHFFFAOYSA-N 164 IPCSVZSSVZVIGE-UHFFFAOYSA-N 165 RGHNJXZEOKUKBD-SQOUGZDYSA-N 166 CDAISMWEOUEBRE-UHFFFAOYSA-N 167 KTVPXOYAKDPRHY-SOOFDHNKSA-N 168 OVRNDRQMDRJTHS-RTRLPJTCSA-N 169 HPEUJPJOZXNMSJ-UHFFFAOYSA-N 170 CDAISMWEOUEBRE-UHFFFAOYSA-N 171 PPQRONHOSHZGFQ-WDCZJNDASA-N 172 FNZLKVNUWIIPSJ-UHNVWZDZSA-N & FNZLKVNUWIIPSJ-R... 173 ZQPPMHVWECSIRJ-UHFFFAOYSA-N 174 ZMXIYERNXPIYFR-UHFFFAOYSA-N 175 APJYDQYYACXCRM-UHFFFAOYSA-N 176 QIQXTHQIDYTFRH-UHFFFAOYSA-N 177 QIQXTHQIDYTFRH-UHFFFAOYSA-N 178 QIVBCDIJIAJPQS-VIFPVBQESA-N 179 QGBRLVONZXHAKJ-UHFFFAOYSA-N 180 GACTWZZMVMUKNG-SLPGGIOYSA-N 181 NBSCHQHZLSJFNQ-SVZMEOIVSA-N 182 GSXOAOHZAIYLCY-HSUXUTPPSA-N 183 XHMJOUIAFHJHBW-IVMDWMLBSA-N 184 GSXOAOHZAIYLCY-HSUXUTPPSA-N 185 YZXBAPSDXZZRGB-DOFZRALJSA-N 186 DRTQHJPVMGBUCF-XVFCMESISA-N 187 VKOBVWXKNCXXDE-UHFFFAOYSA-N 188 DRTQHJPVMGBUCF-XVFCMESISA-N 189 DRTQHJPVMGBUCF-XVFCMESISA-N 190 ZDGJAHTZVHVLOT-YUMQZZPRSA-N 191 DRTQHJPVMGBUCF-XVFCMESISA-N 192 URKOMYMAXPYINW-UHFFFAOYSA-N 193 QSQLTHHMFHEFIY-UHFFFAOYSA-N 194 POOSGDOYLQNASK-UHFFFAOYSA-N 195 UGQMRVRMYYASKQ-KQYNXXCUSA-N 196 CZMRCDWAGMRECN-UGDNZRGBSA-N 197 OIRDTQYFTABQOQ-KQYNXXCUSA-N 198 GUBGYTABKSRVRQ-XLOQQCSPSA-N 199 OIRDTQYFTABQOQ-KQYNXXCUSA-N 200 GUBGYTABKSRVRQ-XLOQQCSPSA-N 201 CZMRCDWAGMRECN-UGDNZRGBSA-N 202 UHDGCWIWMRVCDJ-XVFCMESISA-N 203 XUDJZDNUVZHSKZ-UHFFFAOYSA-N 204 GUBGYTABKSRVRQ-PICCSMPSSA-N 205 DLRVVLDZNNYCBX-LIZSDCNHSA-N 206 IGGUPRCHHJZPBS-UHFFFAOYSA-N 207 NYHBQMYGNKIUIF-UUOKFMHZSA-N 208 JYTUSYBCFIZPBE-AMTLMPIISA-N 209 HDTRYLNUVZCQOY-LIZSDCNHSA-N 210 WUUGFSXJNOTRMR-IOSLPCCCSA-N 211 DLRVVLDZNNYCBX-ABXHMFFYSA-N 212 DLRVVLDZNNYCBX-ABXHMFFYSA-N 213 XCCTYIAWTASOJW-XVFCMESISA-N 214 VHUJBYYFFWDLNM-UHFFFAOYSA-N 215 GRSZFWQUAKGDAV-KQYNXXCUSA-N 216 ZKHOYAKAFALNQD-UHFFFAOYSA-N 217 HVYWMOMLDIMFJA-DPAQBDIFSA-N 218 HVYWMOMLDIMFJA-DPAQBDIFSA-N 219 HVYWMOMLDIMFJA-DPAQBDIFSA-N 220 QYIXCDOBOSTCEI-FBVYSKEZSA-N 221 BIRUBGLRQLAEFF-UHFFFAOYSA-N Warning: The "Retention Index" 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 column "Retention Index" was found in the METABOLITES table, but this column implies that another column, "retention_index_type", should also exist, and that column was not found.