Match peaks
Match peaks
Description
Match a list of theoretical peaks to mass spectra.
Input files
- at least 1 spectra file (.mzdata | .mzdata.bz2 | .mzdata.gz | .mzdata.zip | .mzml | .mzml.bz2 | .mzml.gz | .mzml.zip | .mzxml | .mzxml.bz2 | .mzxml.gz | .mzxml.zip | .xml | .xml.bz2 | .xml.gz | .xml.zip)
- at least 1 target peaks file (.csv | .txt)
Output files
- Matches (matched-peaks.csv)
Context
Parameters
- Check MS levels
- Specify which levels to check
Examples: all, 1, 2, 1,2
- Mass accuracy
-
Default: 5.0 ppm
- Minimum SNR
-
Default: 2.0
- Crop peaks lower than
-
Default: 0.0 %
- Force target m/z decimals
-
Default: 4
Source code
match-peaks.rb, match-peaks.yaml (GitHub)