Split protein/peptide identification file into several files according to identification run and annotated file origin.
Prediction of logP based on the atom-type method called XLogP.
Applies thresholdfilter to peak spectra.
Performs proteinSIP on peptide features for elemental flux analysis.
Plain text view of any file.
Decharges and merges different feature charge variants of the same metabolite.
Creates an FSK object
Removes noise from profile spectra by using a Savitzky Golay filter (on uniform (equidistant) data).
Reads ComBase CSV files
Splits SWATH files into n files, each containing one window.
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