Validation Log 2025-12-14 21:27:28.260037 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000523/mwtab/txt Study ID: ST000328 Analysis ID: AN000523 File format: txt Status: Contains Validation Issues Number of Issues: 25 Number of Warnings: 9 Number of Value Errors: 25 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, "120", 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, "325", 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, "Pos", 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: 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: An empty value or a null value was detected for the subsection, "INSTRUMENT_NAME", in the "CHROMATOGRAPHY" section. A legitimate value should be provided for this required subsection. 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 "Batch 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 2nd "Batch m/z" column at position 6 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 "InChi key" column at position 5 in the METABOLITES table, matches a standard column name, "inchi_key". 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 "Adducts" column at position 8 in the METABOLITES table, matches a standard column name, "adduct". 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 "Identifier" column at position 2 in the METABOLITES table, matches a standard column name, "identifier", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 10 10.13_695.57 +10.13_690.62 26 6.96_810.68 _6.96_792.676.96_832.66 92 5.57_8.36.61 Warning: The "Batch RT" column at position 4 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. Warning: The 2nd "Batch RT" column at position 7 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. Warning: The "Comments" column at position 9 in the METABOLITES table, matches a standard column name, "comment". 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: There are duplicate column names in the METABOLITES table.