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 18 Sep. 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), (2026-07-09 08:00)
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

data360r  
Wrapper for 'TCdata360' and 'Govdata360' API
Makes it easy to engage with the Application Program Interface (API) of the 'TCdata360' and 'Govdat ...
Download / Learn more Package Citations See dependency  
downlit  
Syntax Highlighting and Automatic Linking
Syntax highlighting of R code, specifically designed for the needs of 'RMarkdown' packages like 'pk ...
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  
eyelinker  
Import ASC Files from EyeLink Eye Trackers
Imports plain-text ASC data files from EyeLink eye trackers into (relatively) tidy data frames for ...
Download / Learn more Package Citations See dependency  
injectoR  
R Dependency Injection
R dependency injection framework. Dependency injection allows a program design to follow the depend ...
Download / Learn more Package Citations See dependency  
hmeasure  
The H-Measure and Other Scalar Classification Performance Metrics
Classification performance metrics that are derived from the ROC curve of a classifier. The package ...
Download / Learn more Package Citations See dependency  

28,565

R Packages

239,283

Dependencies

75,677

Author Associations

28,566

Publication Badges

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