Validation Log 2025-12-15 00:25:10.046610 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN003539/mwtab/json Study ID: ST002160 Analysis ID: AN003539 File format: json Status: Contains Validation Issues Number of Issues: 17 Number of Warnings: 9 Number of Value Errors: 11 Number of Consistency Errors: 0 Number of Format Errors: 6 Issue Log: Error: The value, "215-495-6952", in ["PROJECT"]["EMAIL"] is not a valid email. Error: An empty value or a null value was detected in ["TREATMENT"]["TREATMENT_SUMMARY"]. A legitimate value should be provided for this required key. 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: 15 C5 H9 N O3 16 C5 H7 N O3 18 C5 H9 N O3 30 C6 H11 N O4 35 C5 H11 N O2 37 C5 H13 N O 64 C6 H13 N O5 69 C2 H5 N O2 78 C7 H11 N O2 79 C13 H25 N O4 80 C9 H9 N O3 82 C2 H7 N O2 S 84 C11 H11 N O3 88 C9 H17 N O4 89 C3 H7 N O2 92 C4 H7 N O4 94 C7 H15 N O3 95 C3 H7 N O4 S 98 C5 H9 N O4 103 C6 H13 N O2 105 C6 H13 N O2 107 C5 H11 N O2 S 108 C9 H11 N O2 109 C5 H9 N O2 110 C3 H7 N O3 111 C4 H9 N O3 113 C9 H11 N O3 114 C5 H11 N O2 116 C5 H11 N O3 S 121 C8 H15 N O9 S 122 C8 H15 N O6 123 C6 H9 N O5 124 C11 H19 N O9 127 C8 H16 N O9 P 133 C11 H19 N O10 137 C2 H8 N O4 P 140 C23 H45 N O4 141 C9 H17 N O5 143 C6 H11 N O2 145 C10 H19 N O4 150 C3 H7 N O2 153 C2 H7 N O3 S 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.