Comparison Log
2024-05-26 06:30:39.097374
mwtab Python Library Version: 1.2.5
Source:      https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN004885/mwtab/...
Study ID:    ST002975
Analysis ID: AN004885
Status:      Inconsistent

Sections "MS" contain missmatched items: {('MS_COMMENTS', "The ESI source conditions were set with a capillary voltage of 4500 V, drying gas flow rate of 10.0 l/min at 220°C, nebulizer pressure of 2.2 bar, and the End Plate offset at 500 V. Sodium formate (10 mM) was injected at the beginning of each sample run and used as a calibrant for internal calibration during data processing. The MS acquisition process consisted of two phases. First, an auto MS scan lasting from 0 to 0.3 minutes was utilized for calibrating sodium formate. The second phase encompassed auto MS/MS scanning with CID acquisition, including fragmentation, which extended from 0.3 to 30 minutes. Both acquisition phases were conducted in positive mode at a rate of 12 Hz. The automatic mass scan range within each run spanned from 50 to 1300 m/z, with a precursor ion width of ±0.5, a cycle time of 0.5 seconds, and a threshold of 400 counts. Active exclusion was initiated after three spectra and lifted after 0.2 minutes. For MS2 acquisition, a data-dependent acquisition (DDA) approach was employed, with collision energy settings varying between 100% and 250% and being set at 20 eV. TRX-2101/RT-28-calibrants from Nova Medical Testing Inc. for the Bruker T-ReX LC-QTOF were injected before sample analysis to assess the column's performance, reversed-phase liquid chromatography (RPLC) separation, multipoint retention time calibration, and the mass spectrometer. Additionally, TRX-3112-R/MS Certified Human serum solution for Bruker T-ReX LC-QTOF (provided by Nova Medical Testing Inc.) was prepared from pooled human blood and administered before sample analysis to validate the performance of the LC-MS instruments. The analysis followed a randomized sequence order, commencing with five injections of solvent A (0.1% formic acid in deionized water) to facilitate apparatus equilibration. Subsequently, five injections of the pooled QC sample were carried out. Furthermore, one QC injection was conducted every (9-10 samples) to assess the consistency of the analysis."), ('MS_COMMENTS', "The ESI source conditions were set with a capillary voltage of 4500 V, drying gas flow rate of 10.0 l/min at 220°C, nebulizer pressure of 2.2 bar, and the End Plate offset at 500 V. Sodium formate (10 mM) was injected at the beginning of each sample run and used as a calibrant for internal calibration during data processing. The MS acquisition process consisted of two phases. First, an auto MS scan lasting from 0 to 0.3 minutes was utilized for calibrating sodium formate. The second phase encompassed auto MS/MS scanning with CID acquisition, including fragmentation, which extended from 0.3 to 30 minutes. Both acquisition phases were conducted in positive mode at a rate of 12 Hz. The automatic mass scan range within each run spanned from 50 to 1300 m/z, with a precursor ion width of ±0.5, a cycle time of 0.5 seconds, and a threshold of 400 counts. Active exclusion was initiated after three spectra and lifted after 0.2 minutes. For MS2 acquisition, a data-dependent acquisition (DDA) approach was employed, with collision energy settings varying between 100% and 250% and being set at 20 eV. TRX-2101/RT-28-calibrants from Nova Medical Testing Inc. for the Bruker T-ReX LC-QTOF were injected before sample analysis to assess the column''s performance, reversed-phase liquid chromatography (RPLC) separation, multipoint retention time calibration, and the mass spectrometer. Additionally, TRX-3112-R/MS Certified Human serum solution for Bruker T-ReX LC-QTOF (provided by Nova Medical Testing Inc.) was prepared from pooled human blood and administered before sample analysis to validate the performance of the LC-MS instruments. The analysis followed a randomized sequence order, commencing with five injections of solvent A (0.1% formic acid in deionized water) to facilitate apparatus equilibration. Subsequently, five injections of the pooled QC sample were carried out. Furthermore, one QC injection was conducted every (9-10 samples) to assess the consistency of the analysis.")}
'Metabolites' section of 'MS_METABOLITE_DATA' block do not match.
'Data' section of 'MS_METABOLITE_DATA' block do not match.