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Pre‐processing method minimizing the need for reference analyses
Author(s) -
Hansen Per Waaben
Publication year - 2001
Publication title -
journal of chemometrics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.47
H-Index - 92
eISSN - 1099-128X
pISSN - 0886-9383
DOI - 10.1002/1099-128x(200102)15:2<123::aid-cem636>3.0.co;2-8
Subject(s) - calibration , principal component analysis , matrix (chemical analysis) , computer science , mathematics , algorithm , biological system , statistics , artificial intelligence , chemistry , chromatography , biology
A new pre‐processing method called independent interference reduction (IIR) is proposed. It is based on modelling of the interferences by use of principal component analysis (PCA) using samples containing no variation in the parameter of interest. This is followed by subtraction of the modelled effects from the calibration matrix. It is useful in cases where the parameter of interest gives only minor contributions to the calibration matrix and where, at the same time, samples not containing variation in this parameter are easy to obtain. In such a case the method reduces the number of reference analyses required for establishing a reliable calibration. When applied to acetone determination in milk samples by use of Fourier transform infrared (FT‐IR) spectroscopy, the method provides a treatment of the data which yields more stable models in the subsequent calibration step. Copyright © 2000 John Wiley & Sons, Ltd.