Check differences between RAW, mzXML and mzML data
I have compared mzXML and mzML scans (just one, exemplarily) for files 190321_Serum_Lipidextract_368723_01.mzML and 190321_Serum_Lipidextract_368723_01.mzXML. Comparison for scan numer 1 shows, that there are small deviations in the reported masses (fourth decimal position) and larger ones for the reported intensities (on average -2.3261 difference from mzML peaks to mzXML peaks). mzXML intensities seem to be higher all around, which also manifests itself in the comparative results with and without MSfilter and MSMSfilter.
scan1_comparison_mzML_MzXML.xlsx mzML_vs_mzXML_with_and_without_MSfilter_MSMSfilter.xlsx
Workflow Outline
LipidXplorer 1.2.8
MSFilter/MSMSfilter | Metric | Value | Input Format |
---|---|---|---|
0 | No. of Peaks MS1 | mzXML from PeakStrainer | |
No. of Peaks MS2 | |||
0.6 | No. of Peaks MS1 | mzXML from PeakStrainer | |
No. of Peaks MS2 | |||
0 | No. of Peaks MS1 | 2123 | mzXML from msConvert |
No. of Peaks MS2 | 278162 | ||
0.6 | No. of Peaks MS1 | 1887 | mzXML from msConvert |
No. of Peaks MS2 | 249344 | ||
0 | No. of Peaks MS1 | 2126 | mzML from msConvert |
No. of Peaks MS2 | 275956 | ||
0.6 | No. of Peaks MS1 | 1884 | mzML from msConvert |
No. of Peaks MS2 | 246412 |
RAW -> mzML || mzXML -> LX 1.2.7 || LX 1.2.8