BioConductor

msPurity 1.6.2

Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics

Released Jun 9, 2018 by Thomas N. Lawson

This package cannot yet be used with Renjin it depends on other packages which are not available: mzR 2.14.0

Dependencies

mzR 2.14.0 ggplot2 3.0.0 RSQLite doSNOW 1.0.16 stringr 1.3.1 foreach 1.4.4 Rcpp fastcluster 1.1.25 plyr 1.8.4 DBI 1.0.0 reshape2 1.4.3

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.

Source

R

Release History