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erah

Automated Spectral Deconvolution, Alignment, and Metabolite Identification in GC/MS-Based Untargeted Metabolomics

Installation

About

Automated compound deconvolution, alignment across samples, and identification of metabolites by spectral library matching in Gas Chromatography - Mass spectrometry (GC-MS) untargeted metabolomics. Outputs a table with compound names, matching scores and the integrated area of the compound for each sample. Package implementation is described in Domingo-Almenara et al. (2016) doi:10.1021/acs.analchem.6b02927.

Citation erah citation info
scholar.google.es/citations?user=i-0XFxkAAAAJ&hl=en

Key Metrics

Version 1.1.2
R ≥ 3.5.0
Published 2021-05-11 934 days ago
Needs compilation? yes
License GPL-2
License GPL-3
CRAN checks erah results

Downloads

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Maintainer

Maintainer

Xavier Domingo-Almenara

xavier.domingoa@eurecat.org

Authors

Xavier Domingo-Almenara

aut / cre / cph

Jasen P. Finch

ctb

Sara Samino

aut

Maria Vinaixa

aut

Alexandre Perera

aut / ths

Jesus Brezmes

aut / ths

Oscar Yanes

aut / ths

Material

NEWS
Reference manual
Package source

Vignettes

eRah Manual

macOS

r-release

arm64

r-oldrel

arm64

r-release

x86_64

r-oldrel

x86_64

Windows

r-devel

x86_64

r-release

x86_64

r-oldrel

x86_64

Old Sources

erah archive

Depends

Rcpp
R ≥ 3.5.0

Imports

ncdf4
nnls
igraph
signal
quantreg
XML
methods

Suggests

R.rsp
mzR