Package: msPurity
Type: Package
Title: Automated Evaluation of Precursor Ion Purity for Mass
        Spectrometry Based Fragmentation in Metabolomics
Version: 1.6.2
Date: 2018-06-09
Author: Thomas N. Lawson, Ralf Weber, Martin Jones, Mark Viant, Warwick Dunn
Maintainer: Thomas N. Lawson <thomas.nigel.lawson@gmail.com>
Description: 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.
License: GPL (>= 2)
LazyData: TRUE
Depends: Rcpp
Imports: plyr, foreach, parallel, doSNOW, stringr, mzR, reshape2,
        fastcluster, ggplot2, DBI, RSQLite
Suggests: testthat, xcms, BiocStyle, knitr, rmarkdown, msPurityData,
        CAMERA
VignetteBuilder: knitr
RoxygenNote: 6.0.1
biocViews: MassSpectrometry, Metabolomics, Software
Collate: 'all-generics.R' 'create_database.R' 'iw-norm.R'
        'meta_extract.R' 'pcalc.R' 'purityA-class.R'
        'purityA-constructor.R' 'purityA-frag4feature.R'
        'purityA-validate.R' 'purityD-class.R' 'purityD-constructor.R'
        'purityD-av-spectra.R' 'purityD-dims-purity.R'
        'purityD-fileList.R' 'purityD-filterp.R' 'purityD-subtract.R'
        'purityD-writeOut.R' 'purityX-class.R' 'purityX-constructor.R'
        'spectral-complexity.R' 'spectral_matching.R' 'splinepurity.R'
NeedsCompilation: no
Packaged: 2018-06-11 03:34:26 UTC; biocbuild
Built: R 3.5.0; ; 2018-06-11 12:57:21 UTC; windows
