xcms

LC/MS and GC/MS Data Analysis

Bioconductor version: 2.6

Framework for processing and visualization of chromatographically separated and single-spectra mass spectral data. Imports from AIA/ANDI NetCDF, mzXML, and mzData files. Preprocesses data for high-throughput, untargeted analyte profiling.

Author: Colin A. Smith <csmith at scripps.edu>, Ralf Tautenhahn <rtautenh at scripps.edu>, Steffen Neumann <sneumann at ipb-halle.de>

Maintainer: Colin A. Smith <csmith at scripps.edu>

To install this package, start R and enter:

    source("http://bioconductor.org/biocLite.R")
    biocLite("xcms")

To cite this package in a publication, start R and enter:

    citation("xcms")

Documentation

PDF FlowChart.pdf
PDF R Script Grouping FTICR-MS data with xcms
PDF R Script Installation Instructions for xcms
PDF R Script LC/MS Preprocessing and Analysis with xcms
PDF R Script Processing Tandem-MS and MS$^n$ data with with xcms
PDF   Reference Manual

Details

biocViews Technology, MassSpectrometry
Depends R (>= 1.9.0), methods
Imports
Suggests faahKO, msdata, multtest, ncdf, rgl, MassSpecWavelet(>= 1.5.2), RANN, snow
System Requirements NetCDF, zlib
License GPL (>= 2)
URL http://metlin.scripps.edu/download/
Depends On Me CAMERA, TargetSearch
Imports Me CAMERA, flagme
Suggests Me faahKO, MassSpecWavelet, msdata
Version 1.22.1
Since Bioconductor 1.6 (R-2.1) or earlier

Package Downloads

Package Source xcms_1.22.1.tar.gz
Windows Binary xcms_1.22.1.zip (32- & 64-bit)
MacOS 10.5 (Leopard) binary xcms_1.22.1.tgz
Package Downloads Report Download Stats

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