Abstract

This study uses a novel analysis methodology based on the Hierarchical Clustering Analysis (HCA) to determine the effectiveness of different preprocessing methods in minimizing undesired spectral variability in near infrared spectroscopy due to both the consecutive and repetitive acquisition of the spectrum and the sample temperature. Nine preprocessing methods and different combinations of them were evaluated in four case studies: reproducibility, repeatability, sample temperature, and combination of the before mentioned cases. Eighty-four spectra acquired on seven different hydrocarbon samples from catalytic conversion processes have been selected as the real case study to illustrate the potential of the mentioned methodology. The approach proposed allows a more detailed discriminatory analysis compared to the classical methods for comparing the between-class and the within-class variances, such as the Wilks’ lambda criterion, and hence constitutes a powerful tool to determine adequate spectral preprocessing strategies. This study also proves the potential of the discrimination analysis methodology as a general scheme to identify atypical behaviors either in the spectrum acquisition or in the measured samples.

© 2022 The Author(s)

Impact of preprocessing methods on the Raman spectra of brain tissue

Joel Wahl, Elisabeth Klint, Martin Hallbeck, Jan Hillman, Karin Wårdell, and Kerstin Ramser
Biomed. Opt. Express 13(12) 6763-6777 (2022)

Method to reduce undesired multiple fundus scattering effects in double-pass systems

Carlos E. García-Guerra, Joan A. Martínez-Roda, Mikel Aldaba, Fernando Díaz-Doutón, Meritxell Vilaseca, Brian Vohnsen, and Jaume Pujol
J. Opt. Soc. Am. A 36(5) 918-924 (2019)

Variability of light absorption by aquatic particles in the near-infrared spectral region

Stelvio Tassan and Giovanni M. Ferrari
Appl. Opt. 42(24) 4802-4810 (2003)

Detection of undesired inclusion in optically translucent fruits or other objects using noninvasive near-infrared technology

Rusha Patra and Pranab K. Dutta
Appl. Opt. 54(12) 3737-3747 (2015)

Weighting function effects in a direct regularization method for image-guided near-infrared spectral tomography of breast cancer

Jinchao Feng, Shudong Jiang, Brian W. Pogue, and Keith Paulsen
Biomed. Opt. Express 9(7) 3266-3283 (2018)