R Observatory: Metrics for metabodecon version 1.6.2

Balamuta, James Joseph

doi:10.5281/zenodo.21843040

metabodecon

1.6.2

Deconvolution and Alignment of 1d NMR Spectra

0packages depend

2.6Kdownloads / year

40.8%test coverage

13/13checks pass

Overview

About

Maintained by Tobias SchmidtFirst published 2025-01-212 releasesCRAN page ↗GitHub ↗

A framework for deconvolution, alignment and postprocessing of 1-dimensional (1d) nuclear magnetic resonance (NMR) spectra, resulting in a data matrix of aligned signal integrals. The deconvolution part uses the algorithm described in Koh et al. (2009) doi:10.1016/j.jmr.2009.09.003. The alignment part is based on functions from the 'speaq' package, described in Beirnaert et al. (2018) doi:10.1371/journal.pcbi.1006018 and Vu et al. (2011) doi:10.1186/1471-2105-12-405. A detailed description and evaluation of an early version of the package, 'MetaboDecon1D v0.2.2', can be found in Haeckl et al. (2021) doi:10.3390/metabo11070452.

Install

R (CRAN)pak (dev)Ubuntu (r2u)

install.packages("metabodecon", repos = "https://cloud.r-project.org/")

Installs the current CRAN release. Prebuilt binaries on Windows and macOS.

if (!requireNamespace("pak", quietly = TRUE))
  install.packages("pak", repos = "https://cloud.r-project.org/")
pak::pak("spang-lab/metabodecon")

Development version from spang-lab/metabodecon. Installs pak first if it is not already available.

Release

# enable cranapt (r2u) if it is not already set up, then install
grep -rqs r2u.stat.illinois.edu /etc/apt/sources.list /etc/apt/sources.list.d/ \
  || curl -fsSL https://raw.githubusercontent.com/eddelbuettel/r2u/master/inst/scripts/add_cranapt_noble.sh | sudo bash
sudo apt install -y r-cran-metabodecon

Fast Ubuntu binaries via r2u (no compilation). The cranapt setup runs once and is skipped when it is already enabled.

bspm (used by r2u) also needs make: sudo apt install make

Health

CRAN checks

13OK

Slowest check: 3.0 min · r-oldrel-windows-x86_64

Code health

Yes

Tests · ratio 0.72

40.8%

Coverage · measured lines

100%

Documentation · exports

6

Dependencies · direct

Check history

OK2026-08-17
13 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
ERROR2026-08-09
12 OK · 0 NOTE · 0 WARNING · 1 ERROR · 0 FAILURE
OK2026-08-05
13 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
NOTE2026-08-01
12 OK · 1 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
OK2026-06-09
13 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE

Show 5 earlier snapshots

ERROR2026-06-07
12 OK · 0 NOTE · 0 WARNING · 1 ERROR · 0 FAILURE
OK2026-04-25
12 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
NOTE2026-04-16
11 OK · 3 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
ERROR2026-04-15
10 OK · 3 NOTE · 0 WARNING · 1 ERROR · 0 FAILURE
NOTE2026-03-10
11 OK · 3 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE

Documentation

READMENoVignettesYes · dynamicpkgdown siteNoNEWSYes · 100% structuredCode of conductNoContributing guideNo

Examples that run: 100%
Documented parameters: 90%
Return-value docs: 100%
References docs: 2%

Downloads

2.6K

CRAN downloads in the past year

Rank #17,139 · ~7/day · ~216/mo

Releases R versions

Daily download trend is not available in this view yet.

20430 days

62490 days

2.6K1 year

Compare downloads with other packages →

Also on152 r2u

Repository

GitHub ↗ spang-lab/metabodecon

6Stars

0Forks

0Open issues

0Open PRs

17Releases

69Commits

1Contributors

License GPL-3.0 · 69 commits · Last activity 2026-07-22 · 0% stars, 30d

Stars over time

2025-07-28 · 32026-07-11 · 6

Repository practices

Upstream repositoryBeta

6 development-tooling and community-health practices detected across 5 families in the upstream repository

Checks run against github.com/spang-lab/metabodecon on 2026-08-16.

Continuous integration (1)

GitHub Actions

Reproducibility and dev environment (1)

Dockerfile

CRAN release process (2)

cran-comments.mdCRAN-SUBMISSION

Lint, format, editor (1)

lintr

Show all practices

Coverage (1)

Codecov

How this is detected·Detection ruleset v1 (2026-07-18)

Dependencies

Declared dependencies

28 external dependencies (excludes base and recommended)

Depends (1)

R >= 3.5.0

Imports (6)

data.table mathjaxr readJDX speaq toscutil withr

LinkingTo (0)

none

Suggests (22)

covr devtools diffobj digest glue impute knitr lifecycle MassSpecWavelet mdrb microbenchmark pkgbuild pkgload R.devices rcmdcheck remotes rmarkdown testthat (>= 3.0.0)usethis V8 vdiffr waldo

Enhances (0)

none

Dependency license breakdown →

Reverse dependencies

0direct

0indirect

Nothing depends on this yet.

Code & Tests

People & History

People (4)

Maintainer (1)

Tobias Schmidt

Author, Maintainer, Copyright holder

Authors (3)

Tobias Schmidt

Author, Maintainer, Copyright holder

Wolfram Gronwald

Author, Copyright holder

Martina Haeckl

Author, Copyright holder

Contributors (1)

Yanren Linda Hu

Contributor

Copyright holders (3)

Tobias Schmidt

Author, Maintainer, Copyright holder

Wolfram Gronwald

Author, Copyright holder

Martina Haeckl

Author, Copyright holder

Package Timeline

2 releases. Pick two to compare their code metrics. R releases are shown for context.

R
R 4.6.0 released · 2026-04-24
1.6.2Latest
2025-09-17 · current release · diff ↗
R
R 4.5.0 released · 2025-04-11
1.2.6
2025-01-21
R
R 4.4.0 released · 2024-04-24

Package metadata

First published: 2025-01-21
Total releases: 2 / 1 yrs
License: GPL (>= 3) OSI
Additional repositories: spang-lab.r-universe.dev
Minimum R: ≥ 3.5.0
Bundled data: 471 KB / 2 files
Download size: 3.3 MB
Installed size: not tracked yet
With dependencies: not tracked yet

Cite

Cite this package

Run in R for the authors' preferred citation:

citation("metabodecon")

Format

Schmidt, T., Gronwald, W., Haeckl, M., & Hu, Y. L. (2025). metabodecon: Deconvolution and Alignment of 1d NMR Spectra (Version 1.6.2) [Computer software]. https://doi.org/10.32614/CRAN.package.metabodecon

This is what citation() produces when a package has no citation file of its own. If it prints something else, use that.

Cite the R Observatory

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

Format

APA

Balamuta, J. J. (2026). R Observatory: Metrics for metabodecon version 1.6.2 [Data set]. HJJB, LLC. Data release v2026-08-18. https://doi.org/10.5281/zenodo.21843040

From data release v2026-08-18, which the citation names so these numbers can be found later. More on citing and the projects behind them.

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