Comparison Log
2025-03-23 07:27:02.583346
mwtab Python Library Version: 1.2.5
Source:      https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN005916/mwtab/...
Study ID:    ST003600
Analysis ID: AN005916
Status:      Inconsistent

Sections "MS" contain missmatched items: {('MS_COMMENTS', "Mass spectrometer parameters were as follows: Full‐MS scans, 100 to 1,000 (Positive mode) and 50 to 500 (Negative mode) m/z of scan range, 70,000 of resolution, 1 × 106 of AGC target, and maximum IT of 100 ms; For MS2 scans, the following parameters were used: 17,500 of resolution, 1 × 105 of AGC target, maximum IT was 200 ms, ±2 m/z of isolation width, and NCE for dd‐MS2 of 30; sheath gas flow rate was 19 (Positive mode) and 5 (Negative mode); aux gas flow rate was 1; spray voltage was 3.80 kV(Positive mode) and −3.40 kV(Negative mode); capillary temp was 320 °C; S-lens RF level was 60.0. Using Compound Discoverer 3.3™ (Thermo Fisher Scientific, Waltham, MA, USA), data analysis is conducted from LC-MS/MS raw files of each sample. Analysis is performed in the 'Untargeted Metabolomics with Statistics Detect Unknowns with ID using online Data Base and mzlogic' mode. Compound identification is carried out using mzCloud (ddMS2, https://www.mzcloud.org/) and ChemSpider (formula or exact mass, http:// www.chemspider.com), followed by ddMS2 data similarity searches for all compounds using mzCloud. According to the Metabolomics Standards Initiative (MSI) criteria, compounds are filtered at Level 2 (< 10 ppm, mzcloud score > 80) and Level 1 (ChemSpider < 5 ppm).12 Metabolites with CV values of area exceeding 30% in QC (Pooled samples) are excluded, and duplicate metabolites are removed based on average area intensity. Based on the qualitative and quantitative analysis results of identified metabolites, statistical analysis is performed using MetaboAnalyst 6.0 (http://www.metaboanalyst.ca)."), ('MS_COMMENTS', "Mass spectrometer parameters were as follows: Full‐MS scans, 100 to 1,000 (Positive mode) and 50 to 500 (Negative mode) m/z of scan range, 70,000 of resolution, 1 × 106 of AGC target, and maximum IT of 100 ms; For MS2 scans, the following parameters were used: 17,500 of resolution, 1 × 105 of AGC target, maximum IT was 200 ms, ±2 m/z of isolation width, and NCE for dd‐MS2 of 30; sheath gas flow rate was 19 (Positive mode) and 5 (Negative mode); aux gas flow rate was 1; spray voltage was 3.80 kV(Positive mode) and −3.40 kV(Negative mode); capillary temp was 320 °C; S-lens RF level was 60.0. Using Compound Discoverer 3.3™ (Thermo Fisher Scientific, Waltham, MA, USA), data analysis is conducted from LC-MS/MS raw files of each sample. Analysis is performed in the ''Untargeted Metabolomics with Statistics Detect Unknowns with ID using online Data Base and mzlogic'' mode. Compound identification is carried out using mzCloud (ddMS2, https://www.mzcloud.org/) and ChemSpider (formula or exact mass, http:// www.chemspider.com), followed by ddMS2 data similarity searches for all compounds using mzCloud. According to the Metabolomics Standards Initiative (MSI) criteria, compounds are filtered at Level 2 (< 10 ppm, mzcloud score > 80) and Level 1 (ChemSpider < 5 ppm).12 Metabolites with CV values of area exceeding 30% in QC (Pooled samples) are excluded, and duplicate metabolites are removed based on average area intensity. Based on the qualitative and quantitative analysis results of identified metabolites, statistical analysis is performed using MetaboAnalyst 6.0 (http://www.metaboanalyst.ca).")}
'Metabolites' section of 'MS_METABOLITE_DATA' block do not match.
'Data' section of 'MS_METABOLITE_DATA' block do not match.