CLAMS is a Computational Library for Analysis of Mass Spectra, or in short, a peak picker developed in R. In this manner, it accepts MZML files and identifies a discrete set of peaks with their associated experimental data.
Authors: Chris Dejong, Michael Cannon
This package works best with high resolution mass spectrometers such as a microTOF, which is sensitive to at least 2 decimal places.
Utilizes bioconductor package "xcms" for reading the mass spec and drawing EICs
Functioning: Will Group ranges of peaks that are really a single peak Will find isotope peaks Chlorine checker, to see if the compound likely has a chlorine based on the isotopic distribution
Other dependencies: Rpackages: tools, data.table, arg.parser, mzR, xcms