Temperature robust multivariate calibration: an overview of methods for dealing with temperature influences on near infrared spectra

摘要

Multivariate calibration is a powerful tool for establishing a relationship between spectral variables and properties of interest. Usually, changes in spectral variables are ascribed to changes in the chemical composition of the sample. However, spectral intensities that are measured at varying temperatures do not only change because of changes in sample composition but also respond to the change in temperature. In these cases, multivariate calibration can be (severely) hindered, resulting in a loss of prediction capabilities. This paper provides an overview of the characteristics and possibilities of (most) methods for temperature robust multivariate calibration. The methods are discussed by using two data sets.