Bioconductor-mirror/msPurity: Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics

Assess the contribution of the targeted precursor in fragmentation acquired or anticipated isolation windows using a metric called "precursor purity". Also provides simple processing steps (averaging, filtering, blank subtraction, etc) for DI-MS data. Works for both LC-MS(/MS) and DI-MS(/MS) data. Spectral matching of fragmentation spectra can also be run against a SQLite database of library spectra.

Getting started

Package details

AuthorThomas N. Lawson, Ralf Weber, Martin Jones, Mark Viant, Warwick Dunn
Bioconductor views MassSpectrometry Metabolomics Software
MaintainerThomas N. Lawson <[email protected]>
LicenseGPL (>= 2)
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
Bioconductor-mirror/msPurity documentation built on July 19, 2017, 8:46 a.m.