Other packages > Find by keyword >

ChemoSpec  

Exploratory Chemometrics for Spectroscopy
View on CRAN: Click here


Download and install ChemoSpec package within the R console
Install from CRAN:
install.packages("ChemoSpec")

Install from Github:
library("remotes")
install_github("cran/ChemoSpec")

Install by package version:
library("remotes")
install_version("ChemoSpec", "6.3.1")



Attach the package and use:
library("ChemoSpec")
Maintained by
Bryan A. Hanson
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2011-03-27
Latest Update: 2025-07-31
Description:
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.
How to cite:
Bryan A. Hanson (2011). ChemoSpec: Exploratory Chemometrics for Spectroscopy. R package version 6.3.1, https://cran.r-project.org/web/packages/ChemoSpec. Accessed 06 Mar. 2026.
Previous versions and publish date:
1.46-4 (2011-03-27 10:28), 1.47-1 (2011-07-28 19:53), 1.48-1 (2011-10-11 18:46), 1.48-4 (2011-11-03 07:50), 1.50-2 (2012-01-04 19:12), 1.51-0 (2012-05-23 21:15), 1.51-2 (2012-08-10 17:36), 1.60-4 (2013-04-02 14:58), 1.60-8 (2013-08-14 17:56), 1.60-9 (2013-08-17 00:02), 1.61-2 (2013-09-12 07:56), 1.61-3 (2013-09-20 19:09), 2.0-2 (2014-05-31 15:55), 3.0-1 (2015-01-21 17:18), 4.0-0 (2015-03-10 16:48), 4.0.1 (2015-03-16 15:25), 4.0.6 (2015-06-19 17:44), 4.1.15 (2015-07-24 07:53), 4.2.8 (2016-01-26 22:54), 4.3.17 (2016-03-24 23:25), 4.3.34 (2016-07-15 17:12), 4.4.1 (2016-12-29 11:52), 4.4.17 (2017-02-13 23:41), 4.4.85 (2017-07-27 23:26), 4.4.97 (2017-12-12 18:15), 5.0.88 (2018-10-16 00:40), 5.0.207 (2018-11-28 20:40), 5.0.225 (2018-12-19 23:40), 5.0.229 (2019-03-01 06:20), 5.1.9 (2019-06-09 20:50), 5.1.48 (2019-07-25 21:00), 5.2.12 (2020-01-24 20:30), 5.3.2 (2020-08-26 01:00), 5.3.11 (2021-03-27 03:10), 5.3.21 (2021-07-06 10:10), 6.0.1 (2021-10-11 17:10), 6.1.0 (2022-01-08 19:22), 6.1.2 (2022-02-09 04:20), 6.1.3 (2022-03-11 06:10), 6.1.4 (2022-10-22 01:27), 6.1.8 (2023-06-04 16:10), 6.1.9 (2023-06-07 13:00), 6.1.10 (2024-02-03 18:20), 6.1.11 (2025-04-15 17:00), 6.2.0 (2025-06-15 17:50), 6.3.0 (2025-07-31 18:40)
Other packages that cited ChemoSpec R package
View ChemoSpec citation profile
Other R packages that ChemoSpec depends, imports, suggests or enhances
Complete documentation for ChemoSpec
Functions, R codes and Examples using the ChemoSpec R package
Some associated functions: ChemoSpec-package . Spectra . SrE.IR . aovPCAloadings . aovPCAscores . aov_pcaSpectra . averageReplicates . baselineSpectra . binSpectra . c_pcaSpectra . check4Gaps . chkGraphicsOpt . chkSpectra . clupaSpectra . colorSymbol . conColScheme . cv_pcaSpectra . evalClusters . files2SpectraObject . hcaScores . hcaSpectra . hmapSpectra . hypTestScores . irlba_pcaSpectra . mclust3dSpectra . mclustSpectra . metMUD1 . normSpectra . pcaDiag . plot2Loadings . plot3dScores . plotLoadings . plotScores . plotScree . plotSpectra . plotSpectraDist . plotSpectraJS . r_pcaSpectra . removeFreq . removeGroup . removeSample . reviewAllSpectra . rowDist . sPlotSpectra . s_pcaSpectra . sampleDist . sgfSpectra . splitSpectraGroups . sumGroups . sumSpectra . surveySpectra . updateGroups . 
Some associated R codes: ChemoSpec-package.R . DollarNames.R . MUD.R . Spectra.R . SrE.R . aovPCAloadings.R . aovPCAscores.R . aov_pcaSpectra.R . averageReplicates.R . avgFacLvls.R . baselineSpectra.R . binData.R . binSpectra.R . c_pcaSpectra.R . check4GapsStub.R . chkGraphicsOptStub.R . chkSpectraStub.R . cleanArgs.R . clupaSpectra.R . colorSymbolStub.R . conColSchemeStub.R . coordProjCS.R . cv_pcaSpectra.R . evalClusters.R . files2SpectraObject.R . hcaScoresStub.R . hcaSpectra.R . hmapSpectra.R . hypTestScores.R . irlba_pcaSpectra.R . isWholeNo.R . labelExtremes3d.R . makeEllipsoid.R . matrix2SpectraObject.R . mclust3dSpectra.R . mclustSpectra.R . normSpectra.R . normVec.R . onAttach.R . pcaDiag.R . plot2Loadings.R . plot3dScores.R . plotLoadings.R . plotScoresStub.R . plotScreeStub.R . plotSpectra.R . plotSpectraDist.R . plotSpectraJS.R . plotly3d.R . q2rPCA.R . r2qPCA.R . r_pcaSpectra.R . readJEOLascii.R . removeFreqStub.R . removeGroupStub.R . removeSampleStub.R . reviewAllSpectra.R . rowDistStub.R . sPlotSpectra.R . s_pcaSpectra.R . sampleDistStub.R . seXy.R . sgfSpectra.R . splitSpectraGroups.R . sumGroupsStub.R . sumSpectraStub.R . surveySpectra.R . surveySpectra2.R . updateGroupsStub.R .  Full ChemoSpec package functions and examples
Downloads during the last 30 days

Today's Hot Picks in Authors and Packages

DatabionicSwarm  
Swarm Intelligence for Self-Organized Clustering
Algorithms implementing populations of agents that interact with one another and sense their environ ...
Download / Learn more Package Citations See dependency  
EMVS  
The Expectation-Maximization Approach to Bayesian Variable Selection
An efficient expectation-maximization algorithm for fitting Bayesian spike-and-slab regularization p ...
Download / Learn more Package Citations See dependency  
mlr3viz  
Visualizations for 'mlr3'
Visualization package of the 'mlr3' ecosystem. It features plots for mlr3 objects such as tasks, le ...
Download / Learn more Package Citations See dependency  
lbfgs  
Limited-memory BFGS Optimization
A wrapper built around the libLBFGS optimization library by Naoaki Okazaki. The lbfgs package implem ...
Download / Learn more Package Citations See dependency  
solitude  
An Implementation of Isolation Forest
Isolation forest is anomaly detection method introduced by the paper Isolation based Anomaly Detecti ...
Download / Learn more Package Citations See dependency  
r2resize  
In-Text Resize for Images, Tables and Fancy Resize Containers in 'shiny', 'rmarkdown' and 'quarto' Documents
Automatic resizing toolbar for containers, images and tables. Various resizable or expandable contai ...
Download / Learn more Package Citations See dependency  

26,264

R Packages

223,360

Dependencies

70,376

Author Associations

26,265

Publication Badges

© Copyright since 2022. All right reserved, rpkg.net.  Based in Cambridge, Massachusetts, USA