Mixture resolution according to the percentage of robusta variety in order to detect adulteration in roasted coffee by near infrared spectroscopy

Near infrared spectroscopy (NIRS), combined with multivariate calibration methods, has been used to quantify the robusta variety content of roasted coffee samples, as a means for controlling and avoiding coffee adulteration, which is a very important issue taking into account the great variability of the final sale price depending on coffee varietal origin. In pursuit of this aim, PLS regression and a wavelet-based pre-processing method that we have recently developed called OWAVEC were applied, in order to simultaneously operate two crucial pre-processing steps in multivariate calibration: signal correction and data compression. Several pre-processing methods (mean centering, first derivative and two orthogonal signal correction methods, OSC and DOSC) were additionally applied in order to find calibration models with as best a predictive ability as possible and to evaluate the performance of the OWAVEC method, comparing the respective quality of the different regression models constructed. The calibration model developed after pre-processing derivative spectra by OWAVEC provided high quality results (0.79% RMSEP), the percentage of robusta variety being predicted with a reliability notably better than that associated with the models constructed from raw spectra and also from data corrected by other orthogonal signal correction methods, and showing a higher model simplicity. (c) 2007 Elsevier B.V. All rights reserved.