期刊名称：SORT-Statistics and Operations Research Transactions
印刷版ISSN：2013-8830
出版年度：2014
卷号：38
期号：2
页码：231-250
语种：English
出版社：SORT- Statistics and Operations Research Transactions
摘要：The aim of this paper is to apply new chemometric approaches to obtain quantitative information from near and mid infrared spectra of Andalusian extra-virgin olive oils, using gas chromatography as a classical reference analytical technique. Estimations of the content in saturated, monounsaturated and polyunsaturated fatty acids are given using partial least squares regression from the near and mid infrared data matrices as well as their concatenated matrix. The different estimations are evaluated in terms of goodness of fit (calibration) and prediction (validation), as a function of the number of partial least squares factors in the regression model and the used matrix of data. Furthermore, the nature, systematic or random, of the prediction errors is studied by a decomposition of their mean squared error. Finally, procedures of cross-validation are implemented in order to generalize the previous results.
关键词：Extra-virgin olive oil, infrared spectroscopy, partial least squares regression, cross-validation
