qtofpeakpicker

qtofpeakpicker is a command line tool for peak detection in TOF (Time Of Flight spectra)

• Input: same file formats as msconvert, explicitely those containing TOF raw data (wiff - AB-Sciex and Bruker baf files)
• Output: same formats as msconvert (mzXML and mzML)

Examples:

• qtofpeakpicker --resolution=20000 --area=1 --threshold=1 --smoothwidth=1.1 --in=nselevse_L120327_001.wiff --out=nselevse_L120327_001.mzXML
  datect peaks in nselevse_L120327_001.wiff and write results in nselevse_L120327_001.mzXML, Additional parameters specified here are resolution (instrument resolution) if the area (1) or peak height (0) should be stored,
• qtofpeakpicker --help
  

  File Handling::
    -H [ --help ]               produce help message
    -V [ --version ]            produces version information
    -I [ --in ] arg             input file
    -O [ --out ] arg            output file
    -C [ --config-file ] arg    configuration file
  
  Processing Options::
    --resolution arg (=20000)   instrument resolution.
    --area arg (=1)             default area, otherwise store intensity (0).
    --threshold arg (=10)       removes peaks less than threshold times smallest
                                intensity in spectrum
    --numberofpeaks arg (=0)    maximum number of peaks per spectrum (0 = no
                                limit)
  
  Advanced Processing Options::
    -i [ --widthint ] arg (=2)  peak apex +- integration width
    --smoothwidth arg (=1)      smoothing width