xcms

LC/MS and GC/MS Data Analysis

Bioconductor version: Release (2.11)

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		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, Metabolomics, Software
Version	1.34.0
In Bioconductor since	BioC 1.6 (R-2.1) or earlier
License	GPL (>= 2)
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
URL	http://metlin.scripps.edu/download/
Depends On Me	CAMERA, faahKO, flagme
Imports Me	CAMERA, Risa
Suggests Me	MassSpecWavelet, msdata