Validation Log
2025-12-15 01:43:27.104844
mwtab Python Library Version: 2.0.0
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN004852/mwtab/json
Study ID:      ST002955
Analysis ID:   AN004852
File format:   json
Status: Contains Validation Issues
Number of Issues: 13

Number of Warnings: 10

Number of Value Errors: 12

Number of Consistency Errors: 0

Number of Format Errors: 1

Issue Log:
Error: The value, "0.2 ml/min", in ["CHROMATOGRAPHY"]["FLOW_RATE"] 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, "45", in ["CHROMATOGRAPHY"]["COLUMN_TEMPERATURE"] 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.
Warning: The "m/z" column at position 6 in the ["MS_METABOLITE_DATA"]["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 "Monoisotopic Mass" column at position 4 in the ["MS_METABOLITE_DATA"]["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 ["MS_METABOLITE_DATA"]["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:
21         C9 H9 N O4
22         C9 H9 N O4
23          C8 H7 N O
24       C8 H7 N O4 S
30         C5 H9 N O3
32         C8 H9 N O4
36       C14 H17 N O8
38        C8 H17 N O2
42         C7 H7 N O2
43         C7 H7 N O2
45       C16 H19 N O4
46       C16 H19 N O4
47        C5 H11 N O2
54         C5 H13 N O
64       C17 H33 N O4
65       C17 H33 N O4
67     C18 H38 N O5 P
72        C7 H13 N O2
77        C9 H15 N O3
78       C10 H17 N O3
82     C21 H44 N O7 P
83         C2 H5 N O2
84       C26 H43 N O6
85       C26 H43 N O5
87        C7 H11 N O2
88        C7 H11 N O2
89       C13 H25 N O4
90         C9 H9 N O3
91         C9 H9 N O3
94        C10 H9 N O2
95       C11 H11 N O3
96        C11 H9 N O3
100       C7 H15 N O3
101       C9 H17 N O4
102        C3 H7 N O2
106        C4 H7 N O4
108       C7 H15 N O3
109     C3 H7 N O5 S2
113        C5 H9 N O4
119       C6 H13 N O2
122       C6 H13 N O2
124     C5 H11 N O2 S
125       C9 H11 N O2
126        C5 H9 N O2
127        C3 H7 N O3
129        C4 H9 N O3
131       C9 H11 N O3
133       C5 H11 N O2
135        C7 H7 N O3
136     C5 H11 N O3 S
137      C11 H11 N O2
140        C8 H9 N O2
144        C9 H9 N O4
145        C5 H9 N O3
147       C8 H15 N O3
148      C11 H19 N O9
159       C9 H17 N O5
160        C8 H9 N O2
163       C6 H11 N O2
164      C17 H19 N O3
165       C8 H17 N O2
166      C10 H19 N O4
167        C5 H7 N O3
169        C7 H5 N O4
170        C3 H7 N O2
171      C4 H9 N O3 S
174      C2 H7 N O3 S
179       C8 H15 N O2
184         C3 H9 N O
Warning: The "Pubchem ID" column at position 11 in the ["MS_METABOLITE_DATA"]["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 10 in the ["MS_METABOLITE_DATA"]["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 7 in the ["MS_METABOLITE_DATA"]["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 9 in the ["MS_METABOLITE_DATA"]["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 8 in the ["MS_METABOLITE_DATA"]["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 12 in the ["MS_METABOLITE_DATA"]["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 ["MS_METABOLITE_DATA"]["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 ["MS_METABOLITE_DATA"]["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.