Validation Log 2025-12-14 21:28:42.166020 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000554/mwtab/txt Study ID: ST000342 Analysis ID: AN000554 File format: txt Status: Contains Validation Issues Number of Issues: 23 Number of Warnings: 9 Number of Value Errors: 22 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, "SAMPLEPREP_SUMMARY", in the "SAMPLEPREP" section. A legitimate value should be provided for this required subsection. Error: The value, "3500", for the subsection, "CAPILLARY_VOLTAGE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V', 'kV']. Ignore this when more complicated descriptions are required. Error: The value, "8 l/min", for the subsection, "DRY_GAS_FLOW", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['L/hr', 'L/min']. Ignore this when more complicated descriptions are required. Error: The value, "325", for the subsection, "DRY_GAS_TEMP", in the "MS" section should be a number 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, "175", for the subsection, "FRAGMENT_VOLTAGE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V']. Ignore this when more complicated descriptions are required. Error: The value, "200", for the subsection, "ION_SOURCE_TEMPERATURE", in the "MS" section should be a number 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, "1000", for the subsection, "ION_SPRAY_VOLTAGE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V', 'kV']. Ignore this when more complicated descriptions are required. Error: The value, "Neg", for the subsection, "IONIZATION", in the "MS" section should not be "positive" or "negative". "ION_MODE" is where that should be indicated. Error: The value, "11 l/min", for the subsection, "DESOLVATION_GAS_FLOW", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['L/hr', 'L/min']. Ignore this when more complicated descriptions are required. Error: The value, "750", for the subsection, "OCTPOLE_VOLTAGE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V']. Ignore this when more complicated descriptions are required. Error: The value, "65", for the subsection, "SKIMMER_VOLTAGE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V']. Ignore this when more complicated descriptions are required. Error: The value, "3500", for the subsection, "CAPILLARY_VOLTAGE", in the "CHROMATOGRAPHY" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V', 'kV']. Ignore this when more complicated descriptions are required. Error: The value, "5 seconds", for the subsection, "WEAK_WASH_VOLUME", 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. Error: The value, "Autosampler temp 4 C", for the subsection, "TARGET_SAMPLE_TEMPERATURE", in the "CHROMATOGRAPHY" section should be a number 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 following metabolites in the MS_METABOLITE_DATA table appear more than once in the table: "iSTD iSTD Ceramide (d18:1/17:0)" "Ceramide (d40:2)" "PC (36:4)" Warning: The following metabolites in the METABOLITES table appear more than once in the table: "iSTD iSTD Ceramide (d18:1/17:0)" "Ceramide (d40:2)" "PC (36:4)" 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 "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 "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.