Abstract

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.

© 2005 NIR Publications

Extraction of information from laser-induced breakdown spectroscopy spectral data by multivariate analysis

Nicole Labbé, Isabel Maya Swamidoss, Nicolas André, Madhavi Z. Martin, Timothy M. Young, and Timothy G. Rials
Appl. Opt. 47(31) G158-G165 (2008)

Robust calibration method for pure rotational Raman lidar temperature measurement

Hao Chen, Siying Chen, Yinchao Zhang, Pan Guo, He Chen, and Binglong Chen
Opt. Express 23(16) 21232-21242 (2015)

Temperature measurements of turbid aqueous solutions using near-infrared spectroscopy

Naoto Kakuta, Hidenobu Arimoto, Hideyuki Momoki, Fuguo Li, and Yukio Yamada
Appl. Opt. 47(13) 2227-2233 (2008)

Calibration algorithm for cooled mid-infrared systems considering the influences of ambient temperature and integration time

Songtao Chang and Zhou Li
Appl. Opt. 58(29) 8118-8125 (2019)

Evaluation of univariate and multivariate calibration strategies for the direct determination of total carbon in soils by laser-induced breakdown spectroscopy: tutorial

Wesley Nascimento Guedes, Diego Victor Babos, Vinícius Câmara Costa, Carla Pereira De Morais, Vitor da Silveira Freitas, Kleydson Stenio, Alfredo Augusto Pereira Xavier, Luís Carlos Leva Borduchi, Paulino Ribeiro Villas-Boas, and Débora Marcondes Bastos Pereira Milori
J. Opt. Soc. Am. B 40(5) 1319-1330 (2023)