Comparison of multivariate calibration techniques applied to experimental NIR data sets

The present study compares the performance of different multivariate calibr ation techniques applied to four near-infrared data sets when test samples are well within the calibration domain. Three types of problems are discuss ed: the nonlinear calibration, the calibration using heterogeneous data set s, and the calibration in the presence of irrelevant information in the set of predictors. Recommendations are derived from the comparison, which shou ld help to guide a nonchemometrician through the selection of an appropriat e calibration method for a particular type of calibration data. A flexible methodology is proposed to allow selection of an appropriate calibration te chnique for a given calibration problem.