Chromatogram deconvolution
Description
Following the detection of chromatograms by the Chromatogram builder, chromatograms have to be deconvoluted into individual peaks.
The Deconvolution module provides several algorithms for this purpose.
Method parameters
- Suffix
- This string is added to the end of the name of each processed peak list
- Algorithm
- Selection of algorithm for peak recognition
- m/z center calculation
- Define measure for center m/z calculation as median, average or auto (noise level corrected, maximum capped log10-weighted average).
This function is applied to all data points (m/z, intensity) of the new feature to find the center m/z.
- Auto: weight = log10(intensity) - log10(noiseLevel) the maximum weight is 4
The noise level is the lowest intensity found in all chromatograms of all selected peakLists.
- m/z range for MS2 scan pairing (Da)
- All MS2 scans within m/z and RT range are allocated to the new feature (ranges as +-value around center)
- RT range for MS2 scan pairing (min)
- All MS2 scans within m/z and RT range are allocated to the new feature (ranges as +-value around center)
- Remove original peak list
- If checked, original chromatogram will be removed and only deconvoluted version remains