R Package that contains a number of utilities for mass spectrometry. Currently (version 0.3) the package mainly deals with calculations.
Note: although not really used in mass spectrometry, average mass calculations are sometimes needed. The package currently uses the isotopes data (original: https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl) & the isopattern function from the enviPat package for correct average mass calculations.
Install with the command:
devtools::install_github("BenBruyneel/massSpectrometryR")
Work in progress!
October, 2nd 2023