Validation Log
2025-12-14 21:02:54.137580
mwtab Python Library Version: 2.0.0
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000095/mwtab/json
Study ID:      ST000057
Analysis ID:   AN000095
File format:   json
Status: Contains Validation Issues
Number of Issues: 23

Number of Warnings: 4

Number of Value Errors: 17

Number of Consistency Errors: 2

Number of Format Errors: 3

Issue Log:
Error: An empty value or a null value was detected in ["COLLECTION"]["COLLECTION_SUMMARY"]. A legitimate value should be provided for this required key.
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: An empty value or a null value was detected in ["SAMPLEPREP"]["SAMPLEPREP_SUMMARY"]. A legitimate value should be provided for this required key.
Error: The value, "250°C", in ["MS"]["ION_SOURCE_TEMPERATURE"] 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, "70eV", in ["MS"]["IONIZATION_ENERGY"] should be a number followed by a space with a unit (ex. "5 V") from the following list: ['eV']. Ignore this when more complicated descriptions are required.
Error: The value, "250°C", in ["MS"]["SOURCE_TEMPERATURE"] 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 in ["MS"]["MS_COMMENTS"]. Either a legitimate value should be provided for this key, or it should be removed altogether.
Error: The value, "1 ml/min", in ["CHROMATOGRAPHY"]["FLOW_RATE"] 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 - 330C", in ["CHROMATOGRAPHY"]["COLUMN_TEMPERATURE"] 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, "0.5l", in ["CHROMATOGRAPHY"]["SAMPLE_INJECTION"] 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, "7.7 PSI (initial condition)", in ["CHROMATOGRAPHY"]["COLUMN_PRESSURE"] should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['psi', 'bar']. Ignore this when more complicated descriptions are required.
Error: The value, "50C ramped to 250C by 12C/s", in ["CHROMATOGRAPHY"]["INJECTION_TEMPERATURE"] 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.
Error: The value, "230C", in ["CHROMATOGRAPHY"]["TRANSFERLINE_TEMPERATURE"] 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, "30 m length x 0.25 mm internal diameter", in ["CHROMATOGRAPHY"]["SAMPLE_LOOP_SIZE"] 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 required property, "FLOW_GRADIENT", in ["CHROMATOGRAPHY"] is missing.
Error: The required property, "SOLVENT_A", in ["CHROMATOGRAPHY"] is missing.
Error: The required property, "SOLVENT_B", in ["CHROMATOGRAPHY"] is missing.
Error: The following metabolites in the, ["MS_METABOLITE_DATA"]["Data"] table were not found in the ["MS_METABOLITE_DATA"]["Metabolites"] table:
	"1_5-anhydroglucitol"
	"2_3_5-trihydroxypyrazine NIST"
	"2_3-dihydroxybutanoic acid NIST"
	"2_3-dihydroxypyridine"
	"3_6-anhydrogalactose"
	"3_6-dihydro-3_6-dimethyl-2_5-bishydroxypyrazine NIST"
	"cytidine-5^-diphosphate"
	"propane-1_3-diol NIST"
	"pyrazine 2_5-dihydroxy  NIST"
Error: The following metabolites in the ["MS_METABOLITE_DATA"]["Metabolites"] table were not found in the ["MS_METABOLITE_DATA"]["Data"] table:
	"1,5-anhydroglucitol"
	"2,3,5-trihydroxypyrazine NIST"
	"2,3-dihydroxybutanoic acid NIST"
	"2,3-dihydroxypyridine"
	"3,6-anhydrogalactose"
	"3,6-dihydro-3,6-dimethyl-2,5-bishydroxypyrazine NIST"
	"cytidine-5'-diphosphate"
	"propane-1,3-diol NIST"
	"pyrazine 2,5-dihydroxy  NIST"
Warning: The "ri" column at position 3 in the ["MS_METABOLITE_DATA"]["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_type" column at position 4 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "retention_index_type". 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 standard column, "other_id", was found in the METABOLITES table as "other_id". If this column contains database IDs for standard databases such as KEGG, PubChem, HMDB, etc., it is recommended to make individual columns for these and not lump them together into a less descriptive "other_id" column.
Warning: The "inchi_key" column at position 6 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values.