Validation Log 2025-12-15 03:10:13.515941 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN006674/mwtab/txt Study ID: ST004036 Analysis ID: AN006674 File format: txt Status: Contains Validation Issues Number of Issues: 22 Number of Warnings: 12 Number of Value Errors: 21 Number of Consistency Errors: 0 Number of Format Errors: 0 Issue Log: Error: The value, "pupae stages", for the subsection, "AGE_OR_AGE_RANGE", in the "SUBJECT" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['weeks', 'days', 'months', 'years']. Ignore this when more complicated descriptions are required. Error: The value, "Male and female", for the subsection, "GENDER", in the "SUBJECT" section should be one of "Male", "Female", "Male, Female", "Hermaphrodite", or "N/A". Ignore this when more complicated descriptions are required. Error: The value, "250", 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: An empty value or a null value was detected for the subsection, "FLOW_GRADIENT", in the "CHROMATOGRAPHY" section. A legitimate value should be provided for this required subsection. Error: The value, "Helium 1 mL/min", 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 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, "splitless", 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. Error: An empty value or a null value was detected for the subsection, "SOLVENT_A", in the "CHROMATOGRAPHY" section. A legitimate value should be provided for this required subsection. Error: An empty value or a null value was detected for the subsection, "SOLVENT_B", in the "CHROMATOGRAPHY" section. A legitimate value should be provided for this required subsection. Error: The value, "250", for the subsection, "INJECTION_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'] or "room temperature". Ignore this when more complicated descriptions are required. Warning: The "Quant mass" column at position 5 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 "Total spectrum similarity" column at position 15 in the METABOLITES table, matches a standard column name, "mass_spectrum". 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 "INCHIKEY" column at position 11 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 "INCHIKEY" column at position 11 in the METABOLITES table, matches a standard column name, "inchi_key", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 9 Like tag compound Warning: The "SMILES" column at position 12 in the METABOLITES table, matches a standard column name, "smiles", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 9 Like tag compound 50 [H][C@@](O)(CO)[C@@]([H])(O)[C@@]([H])(O)[C@@]... 98 [H]C1(O)O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)... 138 OC(C(CC(O)=O)C(O)=O)C(O)=O & C(C(=O)O)C(CC(=O)... Warning: The "Formula" column at position 9 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: 9 Like tag compound Warning: The "Average Rt(min)" column at position 3 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 "Reference 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 "Average RI" column at position 4 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 "Reference RI" column at position 8 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 "RI similarity" column at position 14 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 "Average RI" 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.