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LC/MS and GC/MS Data Analysis

Bioconductor version: 3.0

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>, Ralf Tautenhahn <rtautenh at>, Steffen Neumann <sneumann at>, Paul Benton <hpbenton at>, Christopher Conley <cjconley at>

Maintainer: Ralf Tautenhahn <rtautenh at>

Citation (from within R, enter citation("xcms")):


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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


biocViews MassSpectrometry, Metabolomics, Software
Version 1.42.0
In Bioconductor since BioC 1.6 (R-2.1) or earlier
License GPL (>= 2) + file LICENSE
Depends R (>= 2.14.0), methods, mzR(>= 1.1.6), BiocGenerics, Biobase
Suggests faahKO, msdata, ncdf, multtest, rgl, MassSpecWavelet(>= 1.5.2), RANN, RUnit
Enhances Rgraphviz, Rmpi, XML
URL and
Depends On Me CAMERA, faahKO, flagme, Metab, metaMS
Imports Me CAMERA, cosmiq, MAIT, Risa
Suggests Me MassSpecWavelet, msdata, RforProteomics, RMassBank
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Package Source xcms_1.42.0.tar.gz
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Mac OS X 10.6 (Snow Leopard) xcms_1.42.0.tgz
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