xcms

LC/MS and GC/MS Data Analysis

Bioconductor version: 2.10

Framework for processing and visualization of chromatographically separated and single-spectra mass spectral data. Imports from AIA/ANDI NetCDF, mzXML, mzData and mzML 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>, Paul Benton <hpaul.benton08 at imperial.ac.uk>

Maintainer: Ralf Tautenhahn <rtautenh 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	R Script	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 xcms
PDF		Reference Manual
Text		NEWS
Text		LICENSE

Details

biocViews	MassSpectrometry, Software
Depends	R (>= 1.9.0), methods, mzR(>= 1.1.6)
Imports
Suggests	faahKO, msdata, ncdf, multtest, rgl, MassSpecWavelet(>= 1.5.2), RANN, snow, RUnit
System Requirements
License	GPL (>= 2)
URL	http://metlin.scripps.edu/download/
Depends On Me	CAMERA, faahKO, flagme
Imports Me	CAMERA
Suggests Me	MassSpecWavelet, msdata
Version	1.32.0
Since	Bioconductor 1.6 (R-2.1) or earlier

Package Downloads

Package Source	xcms_1.32.0.tar.gz
Windows Binary	xcms_1.32.0.zip (32- & 64-bit)
MacOS 10.5 (Leopard) binary	xcms_1.32.0.tgz
Package Downloads Report	Download Stats

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