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

0packages depend
3.5Kdownloads / year
0.6%test coverage
13/13flavors OK

Overview

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.

Changes in 2.2.0
  • Faster aligment algorithm implementation.

From inst/NEWS in the release

Install

Health

CRAN checks
13OK
Slowest check: 4.9 min · r-devel-windows-x86_64
Status changes
  • OK13 OK2026-08-05
  • NOTE12 OK, 1 NOTE2026-08-01
  • OK12 OK2026-04-25
  • NOTE13 OK, 1 NOTE2026-04-22
  • ERROR12 OK, 1 NOTE, 1 ERROR2026-04-18
Show 1 earlier changeHide 1 earlier change
  • NOTE13 OK, 1 NOTE2026-03-10
Advisories

none known

Documentation

In release 2.2.0
READMENoVignettesYes · 1 · staticNEWSYes · 33% structured · mentions 2.2.0Citation fileYes · cites a publicationWebsiteYes · pkgdown
Help pages
34
Examples that run
17%2 run in a plain check · 10 never run
Exported functions with examples
41%
Documented parameters
100%
Return-value docs
34%
Help pages citing references
32%
Vignettes (1)

Downloads

3.5K
CRAN downloads in the past year
Rank #8,041 · ~10/day · ~294/mo
Daily download trend is not available in this view yet.
41930 days
1.1K90 days
3.5K1 year
Compare downloads with other packages →
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Repository

6Stars
6Forks
10Open issues
0Open PRs
0Releases
224Commits
3Commit identities
License file reads as GPL-3.0 · 224 commits · Last activity 2024-02-09 · The default branch showed an older version (2.0.0) than CRAN on 2026-10-21
Responsiveness
How these are sampled
PRs merged (all time)
100%
Median days to close, 50 most recently updated closed issues
0
Median days to close, 50 most recently updated closed PRs
0

Stars over time

2025-05-30 · 62026-07-07 · 6
PracticesBeta

7 development-tooling and community-health practices detected across 4 families in the upstream repository

Checks run against github.com/xdomingoal/erah-devel on 2026-10-21.

Continuous integration (2)
GitHub ActionsR CMD check workflow

The R CMD check workflow runs on Linux, macOS and Windows, and on R-devel

Docs source (3)
pkgdown

GitHub Pages site last deployed 2024-02-09 · The repository has a site deploy workflow

pkgdown site last built 2024-02-09, before release 2.2.0 (2025-07-17)

Coverage (1)
Coverage reporting (Codecov)
Lint, format, editor (1)
RStudio project
How this is detected·Detection ruleset v4 (2026-10-20)

Dependencies

Declared dependencies
19 external dependencies (excludes base and recommended)

Installing erah adds 35 packages (20 with compiled code, 20 MB of source tarballs). Heaviest: igraph 4.8 MB, JADE 2.3 MB, signal 1.9 MB.

Depends (1)
R >= 4.0
LinkingTo (1)
Enhances (0)
none
Reverse dependencies
0direct
0indirect

Nothing depends on this yet.

Datasets

People & History

People (8)
Author, Maintainer since 1.0.0 (2016), Copyright holder
Author, Thesis advisor
Author, Thesis advisor
Author, Thesis advisor
Contributor · added in 1.1.1
Contributor · added in 2.0.0
Listed in earlier versions (4)
Show 4 peopleHide 4 people
Xavier Correig
no longer listed · 1.0.0 to 1.0.1
Marta Diaz
no longer listed · 1.0.0 to 1.0.1
Lourdes Ibanez
no longer listed · 1.0.0 to 1.0.1
Finch
no longer listed · 2.2.0
Releases (12)

Pick two releases to compare their code metrics.

  • R
    R 4.6.0 released · 2026-04-24
  • 2.2.0Latest
    record
    2025-07-18 · current release · diff ↗ ·
    removed 1 export
    plan
  • R
    R 4.5.0 released · 2025-04-11
  • R
    R 4.4.0 released · 2024-04-24
  • unarchivedReturned to CRAN
    2023-12-20
  • 2.0.1
    record
    2023-12-20 · diff ↗
  • archivedRemoved from CRAN
    2023-12-18
    issues were not corrected in time Uses Suggested package unconditionally
  • 2.0.0
    record
    2023-12-02 · diff ↗ ·
    added 4 exports
    createInstrumentalTable, createPhenoTable, plan, showRTRICurve
  • R
    R 4.3.0 released · 2023-04-21
  • R
    R 4.2.0 released · 2022-04-22
  • R
    R 4.1.0 released · 2021-05-18
  • 1.1.2
    record
    2021-05-11 · diff ↗
  • 1.1.1
    record
    2020-07-06 · diff ↗
  • R
    R 4.0.0 released · 2020-04-24
  • R
    R 3.6.0 released · 2019-04-26
  • 1.1.0
    record
    2018-07-11 · diff ↗ ·
    added 1 export
    computeRIerror
Show 10 earlier eventsHide 10 earlier events
  • R
    R 3.5.0 released · 2018-04-23
  • R
    R 3.4.0 released · 2017-04-21
  • 1.0.5
    record
    2017-01-14 · diff ↗ ·
    added 2 exports
    export2CEF, importGMD
  • 1.0.4
    record
    2016-10-18 · diff ↗ ·
    added 1 export
    importMSP
  • 1.0.3
    record
    2016-10-14 · diff ↗
  • 1.0.2
    record
    2016-09-02 · diff ↗ ·
    added 1 export
    export2MSP
  • R
    R 3.3.0 released · 2016-05-03
  • 1.0.1
    record
    2016-04-22 · diff ↗
  • 1.0.0
    record
    2016-04-15
  • R
    R 3.2.0 released · 2015-04-16

Package metadata

First published
2016-04-15
Total releases
12 / 10 yrs
License
GPL (>= 2) OSI
Minimum R
≥ 4.0
Bundled data
176 KB / 1 file
Download size
738 KB

Cite

Cite this package

Run in R for the authors' entry:

citation("erah")

The package provides a citation file, so citation() returns the authors' own entry.

It points to 10.1021/acs.analchem.6b02927.

Cite the R Observatory

For a number measured here: a download total, a coverage figure, an archival date.

APA

Balamuta, J. J. (2026). R Observatory: Metrics for erah version 2.2.0 [Data set]. HJJB, LLC. Data release v2026-10-23. https://doi.org/10.5281/zenodo.21843040

From data release v2026-10-23, which the citation names so these numbers can be found later. More on citing and the projects behind them.

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