Validation Log
2025-12-14 23:38:25.393943
mwtab Python Library Version: 2.0.0
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN002803/mwtab/txt
Study ID:      ST001720
Analysis ID:   AN002803
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:
10                C7 H7 N O4
15                C7 H7 N O3
17              C8 H7 N O4 S
19               C7 H11 N O3
23                 C5 H5 N O
26                 C8 H7 N O
27                C5 H9 N O3
29                C8 H9 N O4
31               C9 H13 N O2
32               C10 H9 N O3
37                 C9 H7 N O
49               C6 H11 N O4
55               C5 H11 N O2
59                C5 H13 N O
73              C17 H33 N O4
75            C18 H38 N O5 P
79                C4 H9 N O2
80                C4 H9 N O2
82               C7 H13 N O2
83               C8 H17 N O2
93               C9 H15 N O3
96                C4 H9 N O2
99            C21 H44 N O7 P
100               C2 H5 N O2
101             C26 H43 N O6
103             C26 H43 N O5
106              C7 H11 N O2
108       [13]C4 H7 [15]N O4
110       [13]C5 H9 [15]N O4
113    [13]C5 H11 [15]N O2 S
114        C2 [13]C4 H9 N O5
116      [13]C9 H11 [15]N O2
117       [13]C5 H9 [15]N O2
118       [13]C3 H7 [15]N O3
119         [13]C2 H7 N O3 S
120       [13]C4 H9 [15]N O3
121      [13]C9 H11 [15]N O3
122       C7 [13]C2 H11 N O3
123      [13]C5 H11 [15]N O2
125              C16 H33 N O
126             C13 H25 N O4
127               C9 H9 N O3
131              C10 H9 N O2
132             C11 H11 N O3
133              C11 H9 N O3
137              C9 H17 N O4
138               C3 H7 N O2
142               C4 H7 N O4
143              C7 H15 N O3
144            C3 H7 N O5 S2
147               C5 H9 N O4
151              C6 H13 N O2
154              C6 H13 N O2
156            C5 H11 N O2 S
157              C9 H11 N O2
158               C5 H9 N O2
159               C3 H7 N O3
160               C4 H9 N O3
162              C9 H11 N O3
163              C5 H11 N O2
166            C5 H11 N O3 S
167             C11 H11 N O2
168             C4 H9 N O2 S
172               C8 H9 N O2
176              C7 H11 N O5
177               C5 H9 N O3
178               C6 H9 N O5
180                C8 H9 N O
183              C18 H35 N O
192              C9 H17 N O5
196              C6 H11 N O2
197             C17 H19 N O3
198             C10 H19 N O4
199              C10 H15 N O
201              C8 H11 N O3
202               C5 H7 N O3
204               C7 H5 N O4
206               C3 H7 N O2
214             C2 H7 N O3 S
215           C26 H45 N O6 S
219               C7 H7 N O2
220                C3 H9 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 "Retention times [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.