Validation Log
2025-12-15 00:29:56.122698
mwtab Python Library Version: 2.0.0
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN003625/mwtab/txt
Study ID:      ST002216
Analysis ID:   AN003625
File format:   txt
Status: Contains Validation Issues
Number of Issues: 15

Number of Warnings: 9

Number of Value Errors: 9

Number of Consistency Errors: 0

Number of Format Errors: 6

Issue Log:
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.
Warning: The "Monoisotopic 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 "Formula" column at position 3 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:
13          C8 H7 N O
14         C8 H9 N O2
18         C7 H7 N O3
20       C8 H7 N O4 S
26         C5 H9 N O3
29        C10 H9 N O3
33          C9 H7 N O
40        C6 H11 N O4
44        C5 H11 N O2
47         C5 H13 N O
59        C6 H11 N O2
62     C18 H38 N O5 P
67         C4 H9 N O2
69        C7 H13 N O2
70        C8 H17 N O2
77       C18 H37 N O2
80         C4 H9 N O2
82        C6 H13 N O5
85     C21 H44 N O7 P
86         C2 H5 N O2
92        C7 H11 N O2
93       C13 H25 N O4
94         C9 H9 N O3
96       C2 H7 N O2 S
98       C11 H11 N O3
99        C11 H9 N O3
100       C11 H9 N O2
105       C9 H17 N O4
106        C3 H7 N O2
111        C4 H7 N O4
112       C7 H15 N O3
113     C3 H7 N O5 S2
116        C5 H9 N O4
123       C6 H13 N O2
126       C6 H13 N O2
128     C5 H11 N O2 S
129       C9 H11 N O2
130        C5 H9 N O2
131        C3 H7 N O3
132        C4 H9 N O3
134       C9 H11 N O3
135       C5 H11 N O2
138     C5 H11 N O3 S
139      C11 H11 N O2
147       C7 H11 N O5
148        C5 H9 N O3
149        C6 H9 N O5
150     C7 H13 N O3 S
151      C11 H13 N O3
152      C11 H13 N O4
153      C11 H19 N O9
155         C8 H9 N O
156     C11 H19 N O10
159       C7 H13 N O3
161       C18 H35 N O
170      C23 H45 N O4
171       C9 H17 N O5
173      C10 H11 N O3
176       C6 H11 N O2
177      C10 H19 N O4
179        C5 H7 N O3
181        C7 H5 N O4
189      C2 H7 N O3 S
191    C12 H16 N4 O S
195        C7 H7 N O2
196         C3 H9 N O
197        C8 H15 N O
Warning: The "PubChem ID" column at position 10 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 ID" column at position 9 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 Accession" column at position 6 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 ID" column at position 8 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 Number" column at position 7 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 "mzCloud ID" column at position 11 in the METABOLITES table, matches a standard column name, "mzcloud_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 "RT [min]" column at position 5 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.
Error: The "Polarity" column in the METABOLITES table indicates multiple polarities in a single analysis, and this should not be. A single mwTab file is supposed to be restricted to a single analysis. This means multiple MS runs under different settings should each be in their own file.