Validation Log
2025-12-14 21:26:52.881337
mwtab Python Library Version: 2.0.0
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000514/mwtab/txt
Study ID:      ST000323
Analysis ID:   AN000514
File format:   txt
Status: Contains Validation Issues
Number of Issues: 22

Number of Warnings: 7

Number of Value Errors: 22

Number of Consistency Errors: 0

Number of Format Errors: 0

Issue Log:
Error: An empty value or a null value was detected for the subsection, "SAMPLEPREP_SUMMARY", in the "SAMPLEPREP" section. A legitimate value should be provided for this required subsection.
Error: The value, "3500", for the subsection, "CAPILLARY_VOLTAGE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V', 'kV']. Ignore this when more complicated descriptions are required.
Error: The value, "8 l/min", 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, "325", 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, "120", for the subsection, "FRAGMENT_VOLTAGE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V']. Ignore this when more complicated descriptions are required.
Error: The value, "325", for the subsection, "ION_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, "1000", for the subsection, "ION_SPRAY_VOLTAGE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V', 'kV']. Ignore this when more complicated descriptions are required.
Error: The value, "Pos", for the subsection, "IONIZATION", in the "MS" section should not be "positive" or "negative". "ION_MODE" is where that should be indicated.
Error: The value, "11 l/min", for the subsection, "DESOLVATION_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, "750", for the subsection, "OCTPOLE_VOLTAGE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V']. Ignore this when more complicated descriptions are required.
Error: The value, "65", for the subsection, "SKIMMER_VOLTAGE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V']. Ignore this when more complicated descriptions are required.
Error: An empty value or a null value was detected for the subsection, "INSTRUMENT_NAME", in the "CHROMATOGRAPHY" section. A legitimate value should be provided for this required subsection.
Error: The value, "3500", for the subsection, "CAPILLARY_VOLTAGE", in the "CHROMATOGRAPHY" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V', 'kV']. Ignore this when more complicated descriptions are required.
Error: The value, "5 seconds", for the subsection, "WEAK_WASH_VOLUME", in the "CHROMATOGRAPHY" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['μL', 'uL']. Ignore this when more complicated descriptions are required.
Error: The value, "Autosampler temp 4 C", for the subsection, "TARGET_SAMPLE_TEMPERATURE", in the "CHROMATOGRAPHY" 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.
Warning: The "m/z" column at position 3 in the METABOLITES table, matches a standard column name, "moverz_quant". 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 "InChI key" 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 "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:
0       C25H49NO4
1       C25H47NO4
2        C45H76O2
3        C45H74O2
4       C42H83NO3
5         C27H46O
6      C24H50NO7P
7      C26H54NO7P
8      C26H52NO7P
9      C40H80NO8P
10     C40H78NO8P
11     C41H82NO8P
12     C41H80NO8P
13     C41H78NO8P
14     C42H84NO8P
15     C42H82NO8P
16     C42H80NO8P
17     C40H80NO8P
18     C43H84NO8P
19     C43H82NO8P
20     C43H80NO8P
21     C44H86NO8P
22     C44H84NO8P
23     C44H82NO8P
24     C44H80NO8P
25     C44H78NO8P
26     C45H86NO8P
27     C45H82NO8P
28     C46H88NO8P
29     C46H86NO8P
30     C46H84NO8P
31     C46H84NO8P
32     C46H82NO8P
33     C46H80NO8P
34     C48H88NO8P
35     C48H86NO8P
36     C48H84NO8P
37     C48H82NO8P
38     C48H80NO8P
39     C41H80NO8P
40     C42H80NO7P
42     C50H94NO7P
43     C41H80NO8P
44     C43H78NO8P
45     C43H74NO8P
46     C41H74NO7P
47     C43H78NO7P
48     C43H76NO7P
49     C45H80NO7P
50    C37H75N2O6P
51    C38H77N2O6P
52    C39H81N2O6P
53    C39H79N2O6P
54    C39H77N2O6P
55    C41H85N2O6P
56    C41H83N2O6P
57    C43H89N2O6P
58    C43H87N2O6P
59    C45H93N2O6P
60    C45H91N2O6P
61    C46H93N2O6P
62    C47H97N2O6P
63    C47H95N2O6P
64    C47H93N2O6P
65    C49H97N2O6P
66       C49H94O6
67       C49H92O6
68       C51H98O6
69       C51H96O6
70       C51H94O6
71      C52H100O6
72       C52H98O6
73      C53H102O6
74      C53H100O6
75      C54H102O6
76      C54H100O6
77      C55H106O6
78      C55H104O6
79       C55H96O6
80      C56H106O6
81      C57H108O6
82       C57H98O6
83      C59H112O6
84      C61H116O6
85      C61H114O6
Warning: The "Molecular formula" column at position 7 in the METABOLITES table, matches a standard column name, "formula". 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 "Molecular formula" column at position 7 in the METABOLITES table, matches a standard column name, "formula", 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     FNPHNLNTJNMAEE-HSZRJFAPSA-N
1     IPOLTUVFXFHAHI-SEYXRHQNSA-N
2     NAACPBBQTFFYQB-LJAITQKLSA-N
3     FYMCIBHUFSIWCE-WVXFKAQASA-N
4     ZJVVOYPTFQEGPH-AUTSUKAISA-N
5     HVYWMOMLDIMFJA-DPAQBDIFSA-N
6     ASWBNKHCZGQVJV-UHFFFAOYSA-N
7     IHNKQIMGVNPMTC-RUZDIDTESA-N
8     YAMUFBLWGFFICM-PTGWMXDISA-N
9     KILNVBDSWZSGLL-KXQOOQHDSA-N
10    QIBZFHLFHCIUOT-NPBIGWJUSA-N
11    SKPMPGXBXHJZPS-LDLOPFEMSA-N
12    WUSDPFVBZAKNBL-IMZFPPOWSA-N
13    SBNDHGBVMZMSNL-UESLNCBNSA-N
14    PZNPLUBHRSSFHT-RRHRGVEJSA-N
15    WTJKGGKOPKCXLL-VYOBOKEXSA-N
16    JLPULHDHAOZNQI-ZTIMHPMXSA-N
17    SSQFWAKSSUYHFV-YVTPCJIFSA-N
18    VATZLDBYQIOABD-HFWGUVFESA-N
19    LNGBVAOHJZCRIL-GPDPEMMZSA-N
20    CWPIHLOOVWJHLK-HEQWELKFSA-N
21    ATHVAWFAEPLPPQ-VRDBWYNSSA-N
22    SNKAWJBJQDLSFF-NVKMUCNASA-N
23    BXRLDROZWDUSGM-ZRYFCQOPSA-N
24    SMNBWWUNQGASFC-MLQXCARSSA-N
25    KKRYRHYMXROGPM-SOVKMKKSSA-N
26    MCZUABDVGPPWPM-HJTCUGKVSA-N
27    QRPUCJXFPYFTMB-FBFLODOBSA-N
28    KXXLFCAPKGRXBT-FMJYHZMHSA-N
29    KJDCENXZHMAYTN-VHWCKNCUSA-N
30    PSVRFUPOQYJOOZ-QNPWAGBNSA-N
31    DNYKSJQVBCVGOF-LCKGXUDJSA-N
32    STHWQCYHQJBDDB-SYONOARRSA-N
33    PLZBTDKJYHXIEW-DZUXOTHRSA-N
34    YVFBVKJWPMCQQG-NRICRUJBSA-N
35    UCKDHIBTSOLZAW-OMGITNNSSA-N
36    UCQTXWKYRXXLSS-BLDRONNASA-N
37    BPUROMFCPFGBOT-ZEGPSQTJSA-N
38    GMBDNBJQWYLJGW-DKFCTBDHSA-N
43    JQKOHRZNEOQNJE-ZZEZOPTASA-N
44    ANRKEHNWXKCXDB-BHFWLYLHSA-N
45    LFGBKOUQHCWBQI-BZGLIJSBSA-N
50    KYICBZWZQPCUMO-PSALXKTOSA-N
51    LQINJRUGTUOHGS-YPDYIYJKSA-N
52    QHZIGNLCLJPLCU-QPPIDDCLSA-N
53    RWKUXQNLWDTSLO-GWQJGLRPSA-N
54    YLWSJLLZUHSIEA-CKSUKHGVSA-N
56    LKQLRGMMMAHREN-YJFXYUILSA-N
58    AADLTHQNYQJHQV-SVLGDMRNSA-N
60    FJJANLYCZUNFSE-QVMKKYBKSA-N
61    SXZWBNWTCVLZJN-ZIHSGIAZSA-N
63    QEDPUVGSSDPBMD-XTAIVQBESA-N
64    DACOGJMBYLZYDH-GXJPFUDISA-N
66    JWVXCFSNEOMSHH-UHFFFAOYSA-N
67    RSDIQTNCDWUNDP-VHXPQNKSSA-N
68    PVNIQBQSYATKKL-UHFFFAOYSA-N
69    FEKLSEFRUGWUOS-DLOIZKPKSA-N
70    RUOVJPPUXXFZPC-YZEIBMOJSA-N
71    TTWJTJMWHOYBPQ-ANFMRNGASA-N
72    VYYGQDOPVVYUKW-UKFBYESTSA-N
73    QRJMBNGGFSPTQP-UHFFFAOYSA-N
74    YHMDGPZOSGBQRH-YYSBDVFPSA-N
75    OZAXLAGNPZMZAD-BOEMPQCLSA-N
76    NSNSZGBCOIKUBU-SZOKBDNISA-N
77    SDNYRTVJOFMYIW-OIVUAWODSA-N
78    NPCZZYKITFKRQZ-RFBIWTDZSA-N
79    CQZAAIKPSLHIBC-KDJOUNIJSA-N
80    WWJIBIGWKGFVAQ-JNSYTQKUSA-N
81    YFFIQXNTTVSKJC-NZEOUKRFSA-N
82    HBOQXIRUPVQLKX-BBWANDEASA-N
83    OCYFAHIHWCVZKS-FHSLLVMSSA-N
84    OWZMHFAFGQCCNI-FBXRAONGSA-N
85    GXWBCAVCOMAOHT-VMCJOIRWSA-N
Warning: The "Adducts" column at position 5 in the METABOLITES table, matches a standard column name, "adduct". 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 "RT" column at position 4 in the METABOLITES table, matches a standard column name, "retention_time". 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.