xcms

LC/MS and GC/MS Data Analysis

Bioconductor version: Development (2.8)

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, Ralf Tautenhahn , Steffen Neumann , Paul Benton

Maintainer: Colin A. Smith

To install this package, start R and enter:

source("http:///biocLite.R")
biocLite("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

Reference Manual

Details

biocViews MassSpectrometry
Depends R, methods
Imports
Suggests faahKO, msdata, multtest, ncdf, rgl, MassSpecWavelet, RANN, snow
System Requirements NetCDF, zlib
License GPL (>= 2)
URL http://metlin.scripps.edu/download/
Depends On Me CAMERA, TargetSearch
Imports Me CAMERA, MSnbase, flagme
Suggests Me MassSpecWavelet
Version 1.25.6

Package Downloads

Package Source xcms_1.25.6.tar.gz
Windows Binary xcms_1.25.6.zip (32- & 64-bit)
MacOS 10.5 (Leopard) binary xcms_1.25.6.tgz
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