Validation Log
2025-12-15 02:18:51.731558
mwtab Python Library Version: 2.0.0
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN005532/mwtab/txt
Study ID:      ST003378
Analysis ID:   AN005532
File format:   txt
Status: Contains Validation Issues
Number of Issues: 12

Number of Warnings: 9

Number of Value Errors: 8

Number of Consistency Errors: 2

Number of Format Errors: 0

Issue Log:
Error: The value, "65", 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 following metabolites in the, MS_METABOLITE_DATA table were not found in the METABOLITES table:
	"CL(1^-[18:2(9Z_12Z)/0:0]_3^-[18:2(9Z_12Z)/0:0])"
	"CL(8:0/11:0/12:0/18:2(9Z_11Z))"
	"CL(8:0/8:0/10:0/18:2(9Z_11Z))"
	"Cytidine 2^_3^-cyclic phosphate"
	"DAT(16:0/23:0(2Me[S]_3OH[S]_4Me[S]_6Me[S]))"
	"DAT(16:0/25:0(2Me[S]_3OH[S]_4Me[S]_6Me[S]))"
	"Estra-1_3_5(10)-triene-3_6beta_17beta-triol triacetate"
	"Isorhamnetin 3-(6^^-acetylgalactoside)"
	"LPA(0:0/18:2(9Z_12Z))"
	"LysoPA(18:3(6Z_9Z_12Z)/0:0)"
	"LysoPA(20:3(8Z_11Z_14Z)/0:0)"
	"LysoPE(0:0/24:6(6Z_9Z_12Z_15Z_18Z_21Z))"
	"MGDG(18:3(9Z_12Z_15Z)/18:3(9Z_12Z_15Z))"
	"N-Acetylgalactosamine 4_6-disulfate"
	"PA(22:1(13Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PA(22:4(7Z_10Z_13Z_16Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PA(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/19:0)"
	"PC(18:3(6Z_9Z_12Z)/0:0)[U]"
	"PC(20:3(5Z_8Z_11Z)/16:0)"
	"PC(20:3(8Z_11Z_14Z)/0:0)"
	"PC(20:4(5Z_8Z_11Z_14Z)/0:0)"
	"PC(20:5(5Z_8Z_11Z_14Z_17Z)/20:4(5Z_8Z_11Z_14Z))"
	"PC(22:5(4Z_7Z_10Z_13Z_16Z)/20:4(8Z_11Z_14Z_17Z))"
	"PC(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/0:0)"
	"PC(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/22:5(7Z_10Z_13Z_16Z_19Z))"
	"PC(O-16:2(9E_10E)/0:0)[U]"
	"PC(O-18:2(9Z_12Z)/0:0)[U]"
	"PE(16:1(9Z)/20:5(5Z_8Z_11Z_14Z_17Z))"
	"PE(18:2(9Z_12Z)/14:1(9Z))"
	"PE(20:3(5Z_8Z_11Z)/14:0)"
	"PE(20:3(8Z_11Z_14Z)/0:0)"
	"PE(20:4(8Z_11Z_14Z_17Z)/20:3(8Z_11Z_14Z))"
	"PE(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/0:0)"
	"PE(24:0/20:4(5Z_8Z_11Z_14Z))"
	"PE(DiMe(9_5)/DiMe(9_5))"
	"PG(18:3(6Z_9Z_12Z)/0:0)"
	"PG(18:3(6Z_9Z_12Z)/12:0)"
	"PG(18:3(6Z_9Z_12Z)/18:0)"
	"PG(20:3(8Z_11Z_14Z)/0:0)"
	"PG(20:5(5Z_8Z_11Z_14Z_17Z)/13:0)"
	"PG(22:1(11Z)/22:4(7Z_10Z_13Z_16Z))"
	"PG(22:5(7Z_10Z_13Z_16Z_19Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PG(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/0:0)"
	"PG(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/20:4(8Z_11Z_14Z_17Z))"
	"PGP(20:4(5Z_8Z_11Z_14Z)/22:5(4Z_7Z_10Z_13Z_16Z))"
	"PGP(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/20:2(11Z_14Z))"
	"PGP(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PI(17:0/18:3(6Z_9Z_12Z))"
	"PI(18:4(6Z_9Z_12Z_15Z)/20:3(8Z_11Z_14Z))"
	"PI(19:0/20:5(5Z_8Z_11Z_14Z_17Z))"
	"PI(20:3(8Z_11Z_14Z)/0:0)"
	"PI(20:4(5Z_8Z_11Z_14Z)/0:0)"
	"PI(22:1(11Z)/22:2(13Z_16Z))"
	"PI(22:4(7Z_10Z_13Z_16Z)/18:3(6Z_9Z_12Z))"
	"PI(22:4(7Z_10Z_13Z_16Z)/20:5(5Z_8Z_11Z_14Z_17Z))"
	"PI(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/0:0)"
	"PI(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/18:3(6Z_9Z_12Z))"
	"PI(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/20:4(5Z_8Z_11Z_14Z))"
	"PIM1(18:1(9Z)/16:2(9Z_12Z))"
	"PI(O-16:0/18:4(6Z_9Z_12Z_15Z))"
	"PI(O-20:0/17:2(9Z_12Z))"
	"PI(P-16:0/20:5(5Z_8Z_11Z_14Z_17Z))"
	"PI(P-18:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PI(P-20:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PIP2(18:2(9Z_12Z)/18:0)"
	"PS(16:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PS(22:2(13Z_16Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PS(22:2(13Z_16Z)/24:0)"
	"PS(22:4(7Z_10Z_13Z_16Z)/21:0)"
	"PS(22:5(4Z_7Z_10Z_13Z_16Z)/22:2(13Z_16Z))"
	"PS(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PS(DiMe(11_5)/DiMe(11_3))"
	"PS(MonoMe(13_5)/DiMe(13_5))"
	"TG(14:0/20:5(5Z_8Z_11Z_14Z_17Z)/14:0)"
	"TG(15:0/18:0/20:4(5Z_8Z_11Z_14Z))"
	"TG(15:0/22:4(7Z_10Z_13Z_16Z)/15:0)"
	"TG(15:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z)/18:3(9Z_12Z_15Z))"
	"TG(15:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z)/20:5(5Z_8Z_11Z_14Z_17Z))"
	"TG(17:2(9Z_12Z)/22:5(7Z_10Z_13Z_16Z_19Z)/22:5(7Z_10Z_13Z_16Z_19Z))[iso3]"
	"TG(18:0/18:3(6Z_9Z_12Z)/18:0)"
	"TG(18:3(6Z_9Z_12Z)/20:4(8Z_11Z_14Z_17Z)/o-18:0)"
	"TG(18:4(6Z_9Z_12Z_15Z)/22:1(13Z)/18:4(6Z_9Z_12Z_15Z))"
	"TG(20:0/22:5(7Z_10Z_13Z_16Z_19Z)/20:0)"
	"TG(20:4(5Z_8Z_11Z_14Z)/o-18:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"TG(20:5(5Z_8Z_11Z_14Z_17Z)/20:3(5Z_8Z_11Z)/20:5(5Z_8Z_11Z_14Z_17Z))"
	"TG(21:0/22:3(10Z_13Z_16Z)/22:5(7Z_10Z_13Z_16Z_19Z))[iso6]"
	"TG(22:2(13Z_16Z)/18:0/22:2(13Z_16Z))"
	"TG(22:5(4Z_7Z_10Z_13Z_16Z)/22:4(7Z_10Z_13Z_16Z)/o-18:0)"
	"TG(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/22:4(7Z_10Z_13Z_16Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"TG(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/22:5(4Z_7Z_10Z_13Z_16Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table:
	"CL(1'-[18:2(9Z,12Z)/0:0],3'-[18:2(9Z,12Z)/0:0])"
	"CL(8:0/11:0/12:0/18:2(9Z,11Z))"
	"CL(8:0/8:0/10:0/18:2(9Z,11Z))"
	"Cytidine 2',3'-cyclic phosphate"
	"DAT(16:0/23:0(2Me[S],3OH[S],4Me[S],6Me[S]))"
	"DAT(16:0/25:0(2Me[S],3OH[S],4Me[S],6Me[S]))"
	"Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate"
	"Isorhamnetin 3-(6''-acetylgalactoside)"
	"LPA(0:0/18:2(9Z,12Z))"
	"LysoPA(18:3(6Z,9Z,12Z)/0:0)"
	"LysoPA(20:3(8Z,11Z,14Z)/0:0)"
	"LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))"
	"MGDG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))"
	"N-Acetylgalactosamine 4,6-disulfate"
	"PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PA(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0)"
	"PC(18:3(6Z,9Z,12Z)/0:0)[U]"
	"PC(20:3(5Z,8Z,11Z)/16:0)"
	"PC(20:3(8Z,11Z,14Z)/0:0)"
	"PC(20:4(5Z,8Z,11Z,14Z)/0:0)"
	"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))"
	"PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))"
	"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"
	"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))"
	"PC(O-16:2(9E,10E)/0:0)[U]"
	"PC(O-18:2(9Z,12Z)/0:0)[U]"
	"PE(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))"
	"PE(18:2(9Z,12Z)/14:1(9Z))"
	"PE(20:3(5Z,8Z,11Z)/14:0)"
	"PE(20:3(8Z,11Z,14Z)/0:0)"
	"PE(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))"
	"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"
	"PE(24:0/20:4(5Z,8Z,11Z,14Z))"
	"PE(DiMe(9,5)/DiMe(9,5))"
	"PG(18:3(6Z,9Z,12Z)/0:0)"
	"PG(18:3(6Z,9Z,12Z)/12:0)"
	"PG(18:3(6Z,9Z,12Z)/18:0)"
	"PG(20:3(8Z,11Z,14Z)/0:0)"
	"PG(20:5(5Z,8Z,11Z,14Z,17Z)/13:0)"
	"PG(22:1(11Z)/22:4(7Z,10Z,13Z,16Z))"
	"PG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"
	"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))"
	"PGP(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))"
	"PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))"
	"PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PI(17:0/18:3(6Z,9Z,12Z))"
	"PI(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))"
	"PI(19:0/20:5(5Z,8Z,11Z,14Z,17Z))"
	"PI(20:3(8Z,11Z,14Z)/0:0)"
	"PI(20:4(5Z,8Z,11Z,14Z)/0:0)"
	"PI(22:1(11Z)/22:2(13Z,16Z))"
	"PI(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))"
	"PI(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))"
	"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"
	"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))"
	"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))"
	"PIM1(18:1(9Z)/16:2(9Z,12Z))"
	"PI(O-16:0/18:4(6Z,9Z,12Z,15Z))"
	"PI(O-20:0/17:2(9Z,12Z))"
	"PI(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))"
	"PI(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PI(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PIP2(18:2(9Z,12Z)/18:0)"
	"PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PS(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PS(22:2(13Z,16Z)/24:0)"
	"PS(22:4(7Z,10Z,13Z,16Z)/21:0)"
	"PS(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))"
	"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PS(DiMe(11,5)/DiMe(11,3))"
	"PS(MonoMe(13,5)/DiMe(13,5))"
	"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:0)"
	"TG(15:0/18:0/20:4(5Z,8Z,11Z,14Z))"
	"TG(15:0/22:4(7Z,10Z,13Z,16Z)/15:0)"
	"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))"
	"TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))"
	"TG(17:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]"
	"TG(18:0/18:3(6Z,9Z,12Z)/18:0)"
	"TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)"
	"TG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))"
	"TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:0)"
	"TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))"
	"TG(21:0/22:3(10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]"
	"TG(22:2(13Z,16Z)/18:0/22:2(13Z,16Z))"
	"TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)"
	"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
Warning: The "ri" column at position 7 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_type" column at position 8 in the 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 column pair, "ri" and "ri_type", in the METABOLITES table should have data in the same rows, but at least one row has data in one column and nothing in the other.
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 3 in the METABOLITES table has all null values.
Warning: The "other_id" column at position 5 in the METABOLITES table has all null values.
Warning: The "other_id_type" column at position 6 in the METABOLITES table has all null values.
Warning: The "ri_type" column at position 8 in the METABOLITES table has all null values.
Warning: The "kegg_id" column at position 4 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different.