Detection limits in classical multivariate calibration models

This work presents a new approach for calculating multivariate detection li mits for the commonly used classical or direct calibration models. The deri ved estimator, which is in accordance with latest IUPAC recommendations, ac counts for the different sources of error related to the calibration and pr ediction steps. Since the multivariate detection limit for a given analyte is influenced by the presence of other components in the sample, a differen t detection limit is calculated for each analyte and analysed sample, at th e chosen significance levels alpha and beta. The proposed methodology has b een experimentally validated by determining four pesticides in water using a FIA method with diode-array detection. The results compare favourably wit h the ones obtained using previously proposed estimators. (C) 2000 Elsevier Science B.V. All rights reserved.