Chemometrics with R - Multivariate Data Analysis in the Natural Sciences and Life Sciences

Functions and scripts used in the book "Chemometrics with R - Multivariate Data Analysis in the Natural Sciences and Life Sciences" by Ron Wehrens, Springer (2011). Data used in the package are available from github.


Version 0.1.13

  • added scores to the list of imported (from pls) and exported functions so that the original behaviour was restored (thanks to Sergio Oller)
  • fixed a bug in the efa function (thanks to Ambarish Nag)

Version 0.1.12

  • removed ChemometricsWithRData as a dependency, the package is no longer on CRAN but still accessible through github

Version 0.1.8

  • updated maintainers' email address
  • fixed NAMESPACE issues for packages MASS and pls
  • added year to book citation

Version 0.1.7

  • ChemometricsWithR no longer uses "Depends" for all packages that are mentioned in the book, but rather "Suggests" these other packages. This means that installation of ChemometricsWithR will not automatically imply installation of the others. Examples in the manual pages will now check the presence of the other packages and if a particular package is not found, an appropriate message will be printed to the screen. In addition, several datasets from other R packages have been included in the ChemometricsWithRData package so that unnecessary loading of packages (only for the data) is avoided.
  • sd(matrix) has been replaced by apply(matrix, 2, sd) in the chapter3, chapter7 and chapter11 demos

Reference manual

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0.1.13 by Ron Wehrens, 2 years ago

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Browse source code at

Authors: Ron Wehrens

Documentation:   PDF Manual  

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GPL (>= 2) license

Imports MASS, pls, kohonen, devtools

Suggests nnet, randomForest, ada, rrcov, sfsmisc, ipred, fastICA, rda, TIMP, class, e1071, rpart, cluster, ALS, ptw, dtw, boot, leaps, lars, elasticnet, subselect, signal, mclust

See at CRAN