Orbithrash

From Mswiki

Orbithrash is an algorithm to deconvolute high resolution mass spectra collected on an Orbitrap mass spectrometer. The program requires ms2 files acquired in the orbitrap and a thrashoptions.txt file (which can be obtained from /data/6/jrjohns1/orbithrash and edited). To run the program in a directory containing high resolution ms2 files and a orbithrash_options.txt file:

/data/6/jrjohns1/orbithrash filename.ms2

The resulting file with be filename.ms2.pkl, and will be the same format as the input ms2, except that the spectra will now only represent monoisotopic m/z values, summed intensity values, and the charge state for peaks that were above the user-defined signal-to-noise threshold.