Comparison Log
2025-03-23 06:52:02.648533
mwtab Python Library Version: 1.2.5
Source:      https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN005161/mwtab/...
Study ID:    ST003145
Analysis ID: AN005161
Status:      Inconsistent

Sections "MS" contain missmatched items: {('MS_COMMENTS', "Mass spectrometry (MS) was used with a heated electrospray ionization (H-ESI) source using polarity switching and the following settings: resolution of 70,000, spray voltages of 4250 V for positive mode and 3250 V for negative mode, sheath gas flow rate of 25 arbitrary units (AU), auxiliary gas flow rate of 15 AU, sweep gas flow rate of 0, capillary temperature of 275°C, and S-lens RF level of 50.0. The instrument was controlled with the Xcalibur 4.1.31.9 software (Thermo Fischer Scientific, Waltham, MA, USA). In data processing, peak integration was performed using TraceFinder 5.1 software (Thermo Fischer Scientific), and the confirmed retention times of 462 metabolites in an in-house library developed using the library kit MSMLS-1EA (Merck) were used. The peak area data were exported as an excel file for further analysis. Data quality was monitored throughout the run using a pooled sample as Quality Control (QC), which was prepared by pooling 5µL from each suspended sample and interspersed throughout the run as every 10th sample. After integration of QC data with TraceFinder 5.1, detected metabolites were checked for peak, and % RSD were calculated. An acceptance limit was set at ≤20%. Blank samples for carryover were injected after every fifth randomized sample to monitor the metabolites' carryover effect and were calculated against the mean QC area. The acceptance limit was set at ≤20% for each metabolite. Background % noise was calculated with respect to the first blank against the mean QC area, and the acceptance limit was set at ≤20% for each metabolite."), ('MS_COMMENTS', "Mass spectrometry (MS) was used with a heated electrospray ionization (H-ESI) source using polarity switching and the following settings: resolution of 70,000, spray voltages of 4250 V for positive mode and 3250 V for negative mode, sheath gas flow rate of 25 arbitrary units (AU), auxiliary gas flow rate of 15 AU, sweep gas flow rate of 0, capillary temperature of 275°C, and S-lens RF level of 50.0. The instrument was controlled with the Xcalibur 4.1.31.9 software (Thermo Fischer Scientific, Waltham, MA, USA). In data processing, peak integration was performed using TraceFinder 5.1 software (Thermo Fischer Scientific), and the confirmed retention times of 462 metabolites in an in-house library developed using the library kit MSMLS-1EA (Merck) were used. The peak area data were exported as an excel file for further analysis. Data quality was monitored throughout the run using a pooled sample as Quality Control (QC), which was prepared by pooling 5µL from each suspended sample and interspersed throughout the run as every 10th sample. After integration of QC data with TraceFinder 5.1, detected metabolites were checked for peak, and % RSD were calculated. An acceptance limit was set at ≤20%. Blank samples for carryover were injected after every fifth randomized sample to monitor the metabolites'' carryover effect and were calculated against the mean QC area. The acceptance limit was set at ≤20% for each metabolite. Background % noise was calculated with respect to the first blank against the mean QC area, and the acceptance limit was set at ≤20% for each metabolite.")}
'Metabolite'
'Data' section of 'MS_METABOLITE_DATA' block do not match.