R Observatory: Metrics for metabodeconplus version 0.22.0

Balamuta, James Joseph

doi:10.5281/zenodo.21843040

metabodeconplus

0.22.0

Deconvolution, Alignment and Model Fitting of 1d NMR Spectra

0packages depend

68downloads / year

40.5%test coverage

12/12checks pass

Overview

About

Maintained by Tobias SchmidtFirst published 2026-08-091 releasesCRAN page ↗GitHub ↗

An integrated framework for deconvolution, alignment and postprocessing of 1-dimensional (1d) nuclear magnetic resonance (NMR) spectra, extended with end-to-end model fitting that turns the resulting matrix of aligned signal integrals into classification models. 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 can be found in Haeckl et al. (2021) doi:10.3390/metabo11070452. 'metabodeconplus' is the actively developed successor to the 'metabodecon' package and introduces backwards-incompatible API changes.

Install

R (CRAN)pak (dev)Fedora (COPR)openSUSE (OBS)

install.packages("metabodeconplus", 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/metabodeconplus")

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

# enable the iucar/cran COPR if it is not already present, then install
ls /etc/yum.repos.d/*iucar*cran*.repo >/dev/null 2>&1 \
  || sudo dnf copr enable -y iucar/cran
sudo dnf install -y R-CRAN-metabodeconplus

RPMs from the iucar/cran COPR, rebuilt from CRAN.

For install.packages() integration in R, also: sudo dnf install R-CoprManager

# add the autoCRAN OBS repo (Tumbleweed) if it is missing, then install
zypper -q lr | grep -qi autoCRAN \
  || sudo zypper addrepo https://download.opensuse.org/repositories/devel:/languages:/R:/autoCRAN/openSUSE_Tumbleweed/devel:languages:R:autoCRAN.repo
sudo zypper install -y R-metabodeconplus

RPMs auto-built from CRAN on openSUSE OBS (Tumbleweed).

Health

CRAN checks

12OK

Slowest check: 4.9 min · r-devel-windows-x86_64

Code health

Yes

Tests · ratio 0.70

40.5%

Coverage · measured lines

100%

Documentation · exports

5

Dependencies · direct

Check history

OK2026-08-10
8 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE

Documentation

READMENoVignettesYes · dynamicpkgdown siteNoNEWSYes · 100% structuredCode of conductNoContributing guideNo

Examples that run: 100%
Documented parameters: 91%
Return-value docs: 100%
References docs: 0%

Downloads

68

CRAN downloads in the past year

Rank #24,790 · ~0/day · ~6/mo

metabodeconplus Releases R versions

Daily download trend is not available in this view yet.

6830 days

6890 days

681 year

Compare downloads with other packages →

Repository

GitHub ↗ spang-lab/metabodeconplus

0Stars

0Forks

0Open issues

0Open PRs

4Releases

License GPL-3.0 · Last activity 2026-08-09

Repository practices

Upstream repositoryBeta

Repository github.com/spang-lab/metabodeconplus is linked, but repository-practices checks have not run for it yet.

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

Dependencies

Declared dependencies

38 external dependencies (excludes base and recommended)

Depends (1)

R >= 3.5.0

Imports (5)

mathjaxr ranger readJDX toscutil withr

LinkingTo (0)

none

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

1 release. R releases are shown for context.

0.22.0Latest
2026-08-09 · current release
R
R 4.6.0 released · 2026-04-24

Package metadata

First published: 2026-08-09
Total releases: 1 / 1 yrs
License: GPL (>= 3) OSI
Additional repositories: spang-lab.r-universe.dev
Minimum R: ≥ 3.5.0
Bundled data: 3.1 MB / 3 files
Download size: not tracked yet
Installed size: not tracked yet
With dependencies: not tracked yet

Cite

Cite this package

Run in R for the authors' preferred citation:

citation("metabodeconplus")

Format

Schmidt, T., Gronwald, W., Haeckl, M., & Hu, Y. L. (2026). metabodeconplus: Deconvolution, Alignment and Model Fitting of 1d NMR Spectra (Version 0.22.0) [Computer software]. https://doi.org/10.32614/CRAN.package.metabodeconplus

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 metabodeconplus version 0.22.0 [Data set]. HJJB, LLC. Data release v2026-08-13. https://doi.org/10.5281/zenodo.21843040

From data release v2026-08-13, which the citation names so these numbers can be found later. More on citing and the projects behind them.

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