Validation Log 2025-12-14 22:33:03.242876 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN001511/mwtab/txt Study ID: ST000922 Analysis ID: AN001511 File format: txt Status: Contains Validation Issues Number of Issues: 16 Number of Warnings: 12 Number of Value Errors: 15 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, "MS_COMMENTS", in the "MS" section. Either a legitimate value should be provided for this subsection, or it should be removed altogether. Error: The value for the subsection, "FLOW_RATE", 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: ['mL/min', 'uL/min', 'μL/min']. Ignore this when more complicated descriptions are required. Error: The value, "50", 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. Error: The value, "2 ul", for the subsection, "SAMPLE_INJECTION", in the "CHROMATOGRAPHY" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['μL', 'uL']. Ignore this when more complicated descriptions are required. Warning: The "quantified m/z" column at position 3 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 "Molecular Weight" column at position 8 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 6 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: 0 C10 H19 N O 1 C8 H15 N O4 2 C8 H15 N O4 3 C8 H17 N O3 4 C8 H17 N O3 5 C8 H17 N O3 6 C8 H17 N O3 7 C13 H23 N O3 11 C3 H9 N O 13 C5 H7 N O2 14 C7 H15 N O3 21 C20 H39 N O 23 C5 H7 N O3 24 C9 H19 N O 25 C6 H11 N O4 32 C6 H15 N O 34 C10 H7 N O3 35 C9 H15 N O4 36 C12 H23 N O4 37 C7 H7 N O2 38 C7 H13 N O3 39 C7 H13 N O3 40 C7 H13 N O3 41 C7 H13 N O3 43 C7 H11 N O3 52 C16 H17 N O9 53 C16 H17 N O9 54 C6 H9 N O4 62 C11 H9 N O5 64 C10 H17 N O5 65 C9 H17 N O3 66 C9 H17 N O3 67 C9 H17 N O3 68 C9 H17 N O3 70 C9 H15 N O2 73 C8 H17 N O2 74 C7 H15 N O2 75 C7 H15 N O2 76 C7 H15 N O2 77 C9 H17 N O4 78 C9 H17 N O4 81 C6 H13 N O3 82 C10 H15 N O2 83 C8 H13 N O2 88 C5 H11 N O2 91 C11 H21 N O4 92 C6 H11 N O 94 C5 H13 N O 95 C5 H13 N O 96 C5 H13 N O4 S 97 C5 H13 N O4 S 99 C13 H25 N O2 100 C13 H25 N O2 103 C12 H17 N O 109 C12 H19 N O2 110 C7 H15 N O3 111 C7 H15 N O3 112 C7 H15 N O3 113 C7 H13 N O2 114 C7 H13 N O2 115 C9 H11 N O2 117 C22 H43 N O 118 C11 H21 N O3 119 C11 H21 N O3 121 C9 H17 N O2 122 C9 H17 N O2 131 C7 H11 N O2 133 C8 H15 N O3 134 C8 H15 N O3 139 C9 H19 N O2 143 C10 H7 N O3 144 C7 H15 N O3 146 C6 H13 N O2 147 C6 H13 N O2 149 C20 H37 N O2 152 C12 H17 N O2 154 C2 H6 O S 158 C10 H17 N O2 159 C10 H17 N O2 160 C10 H17 N O2 175 C6 H13 N O 176 C6 H13 N O 177 C6 H13 N O 180 C15 H29 N O3 181 C13 H25 N O3 182 C13 H25 N O3 183 C20 H39 N O2 184 C9 H17 N O5 185 C9 H17 N O5 186 C8 H9 N O2 187 C8 H9 N O2 Warning: The "PubChem ID" column at position 4 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 5 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 "retention index" column at position 2 in the METABOLITES table, matches a standard column name, "retention_index". 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 column "retention index" was found in the METABOLITES table, but this column implies that another column, "retention_index_type", should also exist, and that column was not found. Warning: The "MC" column at position 4 in the MS_METABOLITE_DATA table has all null values. Warning: The "OB" column at position 7 in the MS_METABOLITE_DATA table has all null values. Warning: The "PubChem ID" column at position 4 in the METABOLITES table has all null values. Warning: The "KEGG ID" column at position 5 in the METABOLITES table has all null values. Warning: The "ion" column at position 7 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different.