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
Package Downloads Report	Download Stats