In this paper, a new approach to calculate multivariate detection limits (M
DL) for the commonly used inverse calibration model is discussed. The deriv
ed estimator follows the latest recommendations of the international Union
of Pure and Applied Chemistry (IUPAC) concerning the detection capabilities
of analytical methods. Consequently, the new approach: (a) is based on the
theory of hypothesis testing and takes into account the probabilities of f
alse positive and false negative decisions, and (b) takes into account all
the different sources of error, both in calibration and prediction steps, w
hich affect the final result. The MDL is affected by the presence of other
analytes in the sample to be analysed; therefore, it has a different value
for each sample to be tested and so the proposed approach attempts to find
whether the concentration derived from a given response can be detected or
not at the fixed probabilities of error. The estimator has been validated w
ith and applied to real samples analysed by NIR spectroscopy. (C) 1999 Else
vier Science B.V. All rights reserved.