Method for optimizing multivariate calibrations

Details Method for optimizing multivariate calibrations Method for optimizing multivariate calibrations

G - Physics

01

N

G01N 37/00 (2006.01) G01N 33/22 (2006.01) G06F 17/18 (2006.01) G01N 21/35 (2006.01) G01N 21/65 (2006.01) G01N 30/02 (2006.01) H01J 49/26 (2006.01)

Patent

CA 2373229

The present invention is a method for optimizing multivariate calibrations such as those used on FT-IR analyzers. The method involves the selection of an optimum subset of samples to use in the calibration form a larger set of available samples. The subset selection is done so as to minimize the bias of the resulting calibration while simultaneously maintaining acceptable standard errors and ensuring maximal range for the model.

La présente invention concerne un procédé d'optimisation d'étalonnages à plusieurs variables du type utilisés dans des analyseurs FT-IR. Le procédé consiste en la sélection d'un sous-ensemble optimal d'échantillons pour utilisation dans l'étalonnage à partir d'un plus vaste ensemble d'échantillons disponibles. La sélection du sous-ensemble est effectuée en vue de réduire à un minimum le gauchissement de l'étalonnage obtenu tout en préservant les erreurs-types acceptables et en assurant une plage maximale pour le modèle.

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