MDATOOLS

The first version of this package was created in 2012 for an introductory PhD course on Chemometrics given at Department of Chemistry and Bioscience, Aalborg University. Quickly I found out that using R for this course (with all advantages it gives) needs a lot of routine work from students, since most of them were also beginners in R. Of course it is very good for understanding when students get to know e.g. how to calculate explained variance or residuals in PCA manually or make corresponding plots and so on, but for the introductory course these things (as well as numerous typos and small mistakes in a code) take too much time, which can be spent for explaining methods and proper interpretation of results... This is actually also true for everyday use of these methods, most of the routines can be written once and simply re-used with various options. So it was decided to write a package where most widely used chemometric methods for multivariate data analysis are implemented and..