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-rw-r--r--gnu/packages/bioconductor.scm36
1 files changed, 36 insertions, 0 deletions
diff --git a/gnu/packages/bioconductor.scm b/gnu/packages/bioconductor.scm
index 4a73edf02c..750311fd7b 100644
--- a/gnu/packages/bioconductor.scm
+++ b/gnu/packages/bioconductor.scm
@@ -4004,3 +4004,39 @@ genes.")
data mainly through the use of wavelet transforms. It supports peak detection
based on @dfn{Continuous Wavelet Transform} (CWT).")
(license license:lgpl2.0+)))
+
+(define-public r-xcms
+ (package
+ (name "r-xcms")
+ (version "3.4.4")
+ (source
+ (origin
+ (method url-fetch)
+ (uri (bioconductor-uri "xcms" version))
+ (sha256
+ (base32
+ "073f25m7y8z4560k93d99fv72pr7nrgrp054zssi7jhas4l3ddww"))))
+ (build-system r-build-system)
+ (propagated-inputs
+ `(("r-biobase" ,r-biobase)
+ ("r-biocgenerics" ,r-biocgenerics)
+ ("r-biocparallel" ,r-biocparallel)
+ ("r-lattice" ,r-lattice)
+ ("r-massspecwavelet" ,r-massspecwavelet)
+ ("r-msnbase" ,r-msnbase)
+ ("r-multtest" ,r-multtest)
+ ("r-mzr" ,r-mzr)
+ ("r-plyr" ,r-plyr)
+ ("r-protgenerics" ,r-protgenerics)
+ ("r-rann" ,r-rann)
+ ("r-rcolorbrewer" ,r-rcolorbrewer)
+ ("r-robustbase" ,r-robustbase)
+ ("r-s4vectors" ,r-s4vectors)))
+ (home-page "https://bioconductor.org/packages/xcms/")
+ (synopsis "LC/MS and GC/MS mass spectrometry data analysis")
+ (description
+ "This package provides a framework for processing and visualization of
+chromatographically separated and single-spectra mass spectral data. It
+imports from AIA/ANDI NetCDF, mzXML, mzData and mzML files. It preprocesses
+data for high-throughput, untargeted analyte profiling.")
+ (license license:gpl2+)))