R Observatory: Metrics for ChemoSpec version 6.3.1

Balamuta, James Joseph

doi:10.5281/zenodo.21843040

ChemoSpec

6.3.1

Exploratory Chemometrics for Spectroscopy

4packages depend

14.8Kdownloads / year

0.8%test coverage

13/13checks pass

Overview

About

Maintained by Bryan A. HansonFirst published 2011-03-2756 releasesCRAN page ↗GitHub ↗

A collection of functions for top-down exploratory data analysis of spectral data including nuclear magnetic resonance (NMR), infrared (IR), Raman, X-ray fluorescence (XRF) and other similar types of spectroscopy. Includes functions for plotting and inspecting spectra, peak alignment, hierarchical cluster analysis (HCA), principal components analysis (PCA) and model-based clustering. Robust methods appropriate for this type of high-dimensional data are available. ChemoSpec is designed for structured experiments, such as metabolomics investigations, where the samples fall into treatment and control groups. Graphical output is formatted consistently for publication quality plots. ChemoSpec is intended to be very user friendly and to help you get usable results quickly. A vignette covering typical operations is available.

Install

R (CRAN)pak (dev)Ubuntu (r2u)Fedora (COPR)openSUSE (OBS)

install.packages("ChemoSpec", 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("bryanhanson/ChemoSpec")

Development version from bryanhanson/ChemoSpec. 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-chemospec

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

# 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-ChemoSpec

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-ChemoSpec

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

Health

CRAN checks

13OK

Slowest check: 3.4 min · r-oldrel-windows-x86_64

Code health

Yes

Tests · ratio 0.00

0.8%

Coverage · measured lines

100%

Documentation · exports

12

Dependencies · direct

Check history

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
ERROR2026-06-08
12 OK · 0 NOTE · 0 WARNING · 1 ERROR · 0 FAILURE
OK2026-03-10
14 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE

Documentation

READMEYes · 300 wordsVignettesYes · dynamicpkgdown siteNoNEWSYes · 100% structuredCode of conductNoContributing guideNo

Examples that run: 71%
Documented parameters: 99%
Return-value docs: 72%
References docs: 25%

Downloads

14.8K

CRAN downloads in the past year

Rank #3,785 · ~40/day · ~1.2K/mo

Releases R versions

Daily download trend is not available in this view yet.

52930 days

2.4K90 days

14.8K1 year

Compare downloads with other packages →

Also on259 r2u19 autocran4K conda_forge

Repository

GitHub ↗ bryanhanson/chemospec

65Stars

20Forks

2Open issues

0Open PRs

0Releases

837Commits

2Contributors

spectroscopynmrinfraredultravioletvisibleramanxrf

837 commits · Last activity 2025-09-09 · 0% stars, 30d

Stars over time

2025-04-09 · 612026-07-07 · 65

Repository practices

Upstream repositoryBeta

1 development-tooling and community-health practice detected across 1 family in the upstream repository

Checks run against github.com/bryanhanson/chemospec on 2026-08-09.

Continuous integration (1)

GitHub Actions

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

Dependencies

Declared dependencies

27 external dependencies (excludes base and recommended)

Depends (2)

R >= 3.5ChemoSpecUtils

Imports (11)

statsutilsgrDevicesreshape2 readJDX patchwork ggplot2 plotlylatticegridmagrittr

LinkingTo (0)

none

Suggests (21)

IDPmisc js NbClust clusterCrit baseline mclust pls R.utils RColorBrewer seriationMASSpcaPP jsonlite signal speaq elasticnet irlba chemometrics amap tinytest roxut

Enhances (0)

none

Dependency license breakdown →

Reverse dependencies

4direct

0indirect

ChemoSpecUtils LearnPCA PlotFTIR ir

Code & Tests

People & History

People (4)

Maintainer (1)

Bryan A. Hanson

Author, Maintainer · added in 4.4.1

Authors (1)

Bryan A. Hanson

Author, Maintainer · added in 4.4.1

Contributors (3)

Mike Bostock

Copyright holder, Contributor · added in 4.4.1

Tejasvi Gupta

Contributor · added in 6.0.1

Matt Keinsley

Contributor · added in 5.0.207

Copyright holders (1)

Mike Bostock

Copyright holder, Contributor · added in 4.4.1

Listed in earlier versions (2)

Greencastle Indiana USA

no longer listed · 2.13.0 to 4.3.34

Bryan A. Hanson DePauw University

no longer listed · 2.13.0 to 4.3.34

Package Timeline

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

R
R 4.6.0 released · 2026-04-24
6.3.1Latest
2025-09-09 · current release · diff ↗
6.3.0
2025-07-31 · diff ↗
6.2.0
2025-06-15 · diff ↗
6.1.11
2025-04-15 · diff ↗
R
R 4.5.0 released · 2025-04-11
R
R 4.4.0 released · 2024-04-24
6.1.10
2024-02-03 · diff ↗
6.1.9
2023-06-07 · diff ↗
6.1.8
2023-06-04 · diff ↗
R
R 4.3.0 released · 2023-04-21
6.1.4
2022-10-22 · diff ↗
R
R 4.2.0 released · 2022-04-22
6.1.3
2022-03-11 · diff ↗
6.1.2
2022-02-09 · diff ↗
6.1.0
2022-01-08 · diff ↗

Show 58 earlier events

6.0.1
2021-10-11 · diff ↗
5.3.21
2021-07-06 · diff ↗
R
R 4.1.0 released · 2021-05-18
5.3.11
2021-03-27 · diff ↗
5.3.2
2020-08-26 · diff ↗
R
R 4.0.0 released · 2020-04-24
5.2.12
2020-01-24 · diff ↗
5.1.48
2019-07-25 · diff ↗
5.1.9
2019-06-09 · diff ↗
R
R 3.6.0 released · 2019-04-26
5.0.229
2019-03-01 · diff ↗
5.0.225
2018-12-19 · diff ↗
5.0.207
2018-11-28 · diff ↗
5.0.88
2018-10-16 · diff ↗
R
R 3.5.0 released · 2018-04-23
4.4.97
2017-12-12 · diff ↗
4.4.85
2017-07-27 · diff ↗
R
R 3.4.0 released · 2017-04-21
4.4.17
2017-02-13 · diff ↗
4.4.1
2016-12-29 · diff ↗
4.3.34
2016-07-15 · diff ↗
R
R 3.3.0 released · 2016-05-03
4.3.17
2016-03-24 · diff ↗
4.2.8
2016-01-26 · diff ↗
4.1.15
2015-07-24 · diff ↗
4.0.6
2015-06-19 · diff ↗
R
R 3.2.0 released · 2015-04-16
4.0.1
2015-03-16 · diff ↗
4.0-0
2015-03-10 · diff ↗
3.0-1
2015-01-21 · diff ↗
2.0-2
2014-05-31 · diff ↗
R
R 3.1.0 released · 2014-04-10
3.0.2
2013-09-20 · diff ↗
1.61-3
2013-09-20 · diff ↗
1.61-2
2013-09-12 · diff ↗
1.60-9
2013-08-17 · diff ↗
1.60-8
2013-08-14 · diff ↗
R
R 3.0.0 released · 2013-04-03
3.0.0
2013-04-02 · diff ↗
1.60-4
2013-04-02 · diff ↗
2.15.2
2012-08-10 · diff ↗
1.51-2
2012-08-10 · diff ↗
2.15.1
2012-05-23 · diff ↗
1.51-0
2012-05-23 · diff ↗
R
R 2.15.0 released · 2012-03-30
2.14.2
2012-01-04 · diff ↗
1.50-2
2012-01-04 · diff ↗
1.48-4
2011-11-03 · diff ↗
2.14.1
2011-11-02 · diff ↗
R
R 2.14.0 released · 2011-10-31
1.48-1
2011-10-11 · diff ↗
2.14.0
2011-10-10 · diff ↗
2.13.2
2011-07-28 · diff ↗
1.47-1
2011-07-28 · diff ↗
R
R 2.13.0 released · 2011-04-13
1.46-4
2011-03-27 · diff ↗
2.13.0
2011-03-26
R
R 2.12.0 released · 2010-10-15

Package metadata

First published: 2011-03-27
Total releases: 56 / 15 yrs
License: GPL-3 OSI
Minimum R: ≥ 3.5
Bundled data: 1.6 MB / 6 files
Download size: 4.1 MB
Installed size: not tracked yet
With dependencies: not tracked yet

Appears in task views

Chemometrics and Computational Physics Genomics, Proteomics, Metabolomics, Transcriptomics, and Other Omics

Cite

Cite this package

Run in R for the authors' preferred citation:

citation("ChemoSpec")

Format

Hanson, B. A., Bostock, M., Gupta, T., & Keinsley, M. (2025). ChemoSpec: Exploratory Chemometrics for Spectroscopy (Version 6.3.1) [Computer software]. https://doi.org/10.32614/CRAN.package.ChemoSpec

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 ChemoSpec version 6.3.1 [Data set]. HJJB, LLC. Data release v2026-08-15. https://doi.org/10.5281/zenodo.21843040

From data release v2026-08-15, which the citation names so these numbers can be found later. More on citing and the projects behind them.

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