Validation Log 2025-12-15 00:30:00.774940 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN003626/mwtab/json Study ID: ST002217 Analysis ID: AN003626 File format: json 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 ["CHROMATOGRAPHY"] is missing. Error: The required property, "FLOW_RATE", in ["CHROMATOGRAPHY"] is missing. Error: The required property, "COLUMN_TEMPERATURE", in ["CHROMATOGRAPHY"] is missing. Error: The required property, "SOLVENT_A", in ["CHROMATOGRAPHY"] is missing. Error: The required property, "SOLVENT_B", in ["CHROMATOGRAPHY"] is missing. 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: 23 C8 H7 N O4 S 26 C5 H5 N O 30 C8 H7 N O 31 C5 H9 N O3 32 C5 H7 N O3 33 C10 H9 N O3 36 C9 H7 N O 39 C4 H7 N O3 45 C6 H11 N O4 48 C5 H11 N O2 51 C5 H13 N O 72 C4 H9 N O2 74 C7 H13 N O2 75 C8 H17 N O2 80 C6 H13 N O5 86 C21 H44 N O7 P 87 C2 H5 N O2 93 C13 H25 N O4 94 C9 H9 N O3 98 C11 H11 N O3 102 C9 H17 N O4 103 C3 H7 N O2 107 C4 H7 N O4 109 C7 H15 N O3 110 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 C5 H11 N O2 133 C5 H11 N O3 S 142 C7 H11 N O5 143 C5 H9 N O3 144 C6 H9 N O5 145 C7 H13 N O3 S 146 C11 H19 N O9 149 C8 H9 N O 151 C6 H5 N O2 157 C23 H45 N O4 158 C9 H17 N O5 159 C9 H17 N O5 161 C10 H11 N O3 164 C6 H11 N O2 167 C10 H19 N O4 170 C7 H5 N O4 174 C3 H7 N O2 179 C2 H7 N O3 S 180 C26 H45 N O6 S 181 C26 H45 N O7 S 182 C12 H16 N4 O S 185 C7 H7 N O2 187 C3 H9 N O 190 C H4 N2 O Warning: The "PubChem ID" column at position 10 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 9 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 6 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 8 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 7 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 11 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.