Pretreatments by means of orthogonal projections

J.C. Boulet (1) , J.M. Roger (2)

1 SPO - Sciences Pour l'Oenologie
2 UMR ITAP - Information – Technologies – Analyse Environnementale – Procédés Agricoles

This article describes several linear pretreatments based on orthogonal projections. The main differences of these pretreatments lie in the way the information to be removed are identified, using calibration dataset, pure spectra, experimental designs or mathematical models. Removing all the undesired spectral information yields spectra proportional to the net analyte signal, so it is important to collect the most complete information possible, using the complementarities of different approaches. The correction should then be processed with a single Euclidian orthogonal projection that gathers all the information, rather than with successive operations. By embedding Euclidian orthogonal projections into the calibration, it is not necessary to reapply them to new datasets.

Mots clés: CHIMIOMETRIE; MODELE MATHEMATIQUE; ORTHOGONAL PROJECTION; ANALYSE SPECTRALE; PRETREATMENT; PREPROCESSING; SUBSPACE; LINEAR MODEL

Domaines: Sciences de l'environnement

J.C. Boulet, J.M. Roger. Pretreatments by means of orthogonal projections. Chemometrics and Intelligent Laboratory Systems, 2012, 117, p. 61 - p. 69. ⟨10.1016/j.chemolab.2012.02.002⟩. ⟨hal-00842452⟩