What is new

14.07.2022

Added description of new features appeared in v. 0.13.0 of the package, including new plotting method plotRMSERatio() for PLS models and new cross-validation possibilities. Validation of PLS model text has been extended and made as separate section.

12.09.2021

Added description of new features appeared in v. 0.12.0 of the package, including:

• new preprocessing methods prep.transform(), prep.varsel().
• improvements to prep.savgol() and prep.norm().
• a possibility to combine several preprocessing method together and apply at once.

In addition to that, text for Datasets chapter has been revised to provide more clear guides while the part about preprocessing was detached and now is available as separate chapter where you can find all details. Description of ALS baseline correction was moved to the section Correction of baseline.

23.04.2021

• using test set validation in iPLS.
• possibility to force selected contribution and spectral values in MCR-ALS.
• added information about how to provide user defined indices for pure variables in Purity method
• added link to relevant paper in the PCA model complexity section

22.01.2021

23.07.2020

• section about MCR Purity method has been re-written to correspond to the algorithm changes in v. 0.11.1.

12.07.2020

• added description of new preprocessing methods prep.alsbasecorr()
• several small improvements in text

02.03.2020

• fixed a code typo in chapter about outlier detection in PLS.

01.03.2020

Small changes related to v. 0.10.1:

• added description of density plots
• added description of plotHotellingEllipse() method to PCA chapter

29.01.2020

The new version of the package (0.10.0) has a lot of changes and improvements, so it was decided to update the book to a large degree. In addition to that, chapters about iPLS and randomization tests have been added as well as information on new tools. See list of changes in the package for more details.