Multivariate Data Analysis Tools

mdatools is an R package for preprocessing, exploring and analysis of multivariate data. The package provides methods mostly common for Chemometrics. It was created for an introductory PhD course on Chemometrics given at Section of Chemical Engineering, Aalborg University.

The general idea of the package is to collect most widespread chemometric methods and give a similar "user interface" (or rather API) for using them. So if a user knows how to make a model and visualize results for one method, he or she can easily do this for the others.

For more details and examples read a Bookdown tutorial.

If you want to cite the package, please use the following: Sergey Kucheryavskiy, mdatools – R package for chemometrics, Chemometrics and Intelligent Laboratory Systems, Volume 198, 2020 (DOI: 10.1016/j.chemolab.2020.103937).

What is new

Latest release (0.10.3) is available via GitHub (released 28.03.2020). The last major version (0.10.0) contains a lot of improvements and most of code has been refactored. Check full list of changes carefully as it can lead to a (although very small) incompatibility. The Bookdown tutorial has been also revised significantly. This version will be released on CRAN at the end of February.

Starting from this release, several badges added to the top of this file. The first shows current build status, which makes the use of Git Hub hosted developer version more secure. If build is passing it means that the code currently available in master branch passes all CRAN checks and internal tests. Other badges show number of downloads from CRAN and GitHub as well as how much of code is currently covered with tests.

How to install

The package is available from CRAN by usual installing procedure. However, due to restrictions in CRAN politics regarding number of submissions (one in 3-4 month), mostly major releases will be published there (with 2-3 weeks delay after GitHub release as more thorough testing is needed). You can download a zip-file with source package and install it using the install.packages command, e.g. if the downloaded file is mdatools_0.10.3.tar.gz and it is located in a current working directory, just run the following:

install.packages("mdatools_0.10.3.tar.gz")

If you have devtools package installed, the following command will install the current developer version from the master branch of GitHub repository (do not forget to load the devtools package first):

install_github("svkucheryavski/mdatools")