Isotopic peak pattern deconvolution for Protein Mass
Spectrometry by template matching
Description
The package provides functionality to extract isotopic peak
patterns from raw mass spectra. This is done by fitting a large set of
template basis functions to the raw spectrum using either nonnegative least
squares or least absolute deviation fittting. The
package offers a flexible function which
tries to estimate model parameters in a way tailored to the peak shapes in
the data. The package also provides functionality to process LCMS runs.