recipe r-erah

Automated compound deconvolution, alignment across samples, and identification of metabolites by spectral library matching in Gas Chromatography - Mass spectrometry (GC-MS) untargeted metabolomics.

Homepage:

https://CRAN.R-project.org/package=erah

License:

GPL-2.0-or-later

Recipe:

/r-erah/meta.yaml

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>.

package r-erah

versions:

2.0.1-0,  2.0.0-0,  1.1.2-0

depends libgcc-ng:

>=12

depends libstdcxx-ng:

>=12

depends r-base:

>=4.3,<4.4.0a0

depends r-furrr:

depends r-future:

depends r-hiclimr:

depends r-igraph:

depends r-osd:

depends r-progress:

depends r-quantreg:

depends r-signal:

depends r-tibble:

requirements:

Installation

You need a conda-compatible package manager (currently either micromamba, mamba, or conda) and the Bioconda channel already activated (see set-up-channels).

While any of above package managers is fine, it is currently recommended to use either micromamba or mamba (see here for installation instructions). We will show all commands using mamba below, but the arguments are the same for the two others.

Given that you already have a conda environment in which you want to have this package, install with:

   mamba install r-erah

and update with::

   mamba update r-erah

To create a new environment, run:

mamba create --name myenvname r-erah

with myenvname being a reasonable name for the environment (see e.g. the mamba docs for details and further options).

Alternatively, use the docker container:

   docker pull quay.io/biocontainers/r-erah:<tag>

(see `r-erah/tags`_ for valid values for ``<tag>``)

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