wmoldham/mzrtools: Make Molecular Formulas Useful for Mass Spectrometry Applications

Several tools that convert molecular formulas into useful values for mass spectrometry applications. This includes parsing formulas, calculating monoisotopic masses, and building chemical libraries for targeted mass spectrometry applications. In addition, functions will enumerate chemical isotopes, calculate the isotopic probability distributions, and perform correction for natural isotope abundance.

Getting started

Package details

LicenseMIT + file LICENSE
URL https://github.com/wmoldham/mzrtools
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
wmoldham/mzrtools documentation built on Oct. 26, 2020, 2:40 p.m.