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" for using them. So if a user knows how to make a model and visualise results for one method, he or she can easily do this for the others.
For more details and examples read a Bookdown tutorial.
New minor release (0.9.1) is available both from GitHub and CRAN (from 07.07.2018).
The latest major release (0.9.0) brings a set of new features, including methods for computing of critical limits for PCA/SIMCA residuals, adjuested residuals plot, and randomized algorithms for fast PCA decomposition of dataset with large number of rows. The text of tutorial has been amended correspondingly and now also includes a new chapter with detailed explanation of calculation of the critical limits.
A full list of changes is available here
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) only major releases will be published there (with 2-3 weeks delay after GitHub release as more thorought testing is needed). To get the latest release plase use GitHub sources. 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_0.9.1.tar.gz and it is located in a current working directory, just run the following:
If you have
devtools package installed, the following command will install the latest release from
the master branch of GitHub repository (do not forget to load the
devtools package first):
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