R. De Maesschalck et al., The development of calibration models for spectroscopic data using principal component regression, INTERNET J, 2(19), 1999, pp. 1
The tutorial explains how to develop a calibration model for spectroscopic
data analysis by Principal Component Regression (PCR), PCR basically consis
ts of Principal Component Analysis (PCA) followed by a Multiple Linear Regr
ession (MLR) step. Different diagnostics must however be implemented to det
ect outliers, clustering tendency or nonlinearities in the data. The develo
ped PCR model can further be optimized using UVE (uninformative variable el
imination). The tutorial also explains how to handle replicates and how to
perform different data preprocessings and/or pretreatments.