Introduction

This is a user guide for mdatools — R package for preprocessing, exploring and analysis of multivariate data. The package provides methods mostly common for Chemometrics. The general idea of the package is to collect the popular chemometric methods and give a similar “user interface” for applying the methods to different datasets. 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 other methods as well. Usually I update the tutorial when a new version of the package is released, you can track main changes here.

The current version of tutorial is compatible with version 0.10.3 of the package.

All methods implemented in the package were tested using well-known datasets. However, there still could be some bugs, in this case please report to svkucheryavski@gmail.com or use Issues tool at GitHub. You are also very welcome to share your comments and suggestions about the package functionality.

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).