Validation Log 2025-12-15 02:15:06.323943 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN005461/mwtab/txt Study ID: ST003333 Analysis ID: AN005461 File format: txt Status: Contains Validation Issues Number of Issues: 6 Number of Warnings: 4 Number of Value Errors: 6 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, "TREATMENT_SUMMARY", in the "TREATMENT" section. A legitimate value should be provided for this required subsection. Error: The value, "25", 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. Warning: The "m/z" column at position 4 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 "Calc. MW" column at position 3 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 2 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: 1 C8 H7 N O4 S 2 C8 H9 N O5 S 3 C9 H9 N O3 12 C16 H17 N O8 15 C9 H15 N O5 S 25 C17 H20 N2 O S 38 C9 H9 N O4 41 C8 H9 N O 45 C26 H43 N O8 S 52 C10 H19 N O3 53 C8 H9 N O4 55 C10 H17 N O3 66 C2 H F3 O2 70 C7 H7 N O4 74 C12 H17 N O3 78 C6 H11 N O3 81 C12 H13 N O5 83 C8 H11 N O5 S 85 C25 H27 F N4 O3 99 C9 H11 N O6 S 100 C9 H17 N O5 101 C14 H15 N O8 106 C10 H13 N O6 S 107 C10 H11 N O5 112 C15 H17 N O10 113 C26 H41 N O5 115 C12 H13 N O3 120 C8 H15 N O4 S 123 C8 H9 N O6 S 138 C9 H15 N O3 150 C21 H22 F N5 O 161 C11 H15 N O10 165 C15 H15 N O8 173 C8 H11 N O4 S 174 C19 H14 N4 O S 180 C15 H17 N O8 181 C24 H25 F N4 O2 186 C14 H17 N O8 193 C8 H11 N O5 S 194 C27 H29 F N4 O 204 C16 H19 Br N2 205 C9 H8 Cl N3 O2 211 C7 H13 N O3 215 C9 H13 N O5 222 C13 H12 Cl N3 O2 225 C6 H9 N O5 231 C10 H7 N O4 236 C14 H21 N O3 244 C14 H15 Cl N4 245 C5 H11 N O5 S 248 C11 H13 N O4 252 C26 H43 N O5 253 C28 H33 Cl N2 261 C7 H9 N O2 271 C13 H19 Cl N2 O5 S2 274 C30 H31 F N4 O3 276 C12 H10 Cl N3 O 278 C15 H19 Br O 283 C8 H6 Cl I O 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.