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Comprehensive Chemometrics

The whole chapter “Chemometrics in Raman Spectroscopy” aims for a full and comprehensive description of chemometrics in the context of Raman spectroscopy. In this chapter, we describe every aspect of the Raman spectral data analysis pipeline, which is composed of correction, standardization and analysis procedures, and highlight selected chemometric applications and emerging trends. Because correction and standardization approaches utilized for the analysis of Raman spectra have deeper physical or spectroscopic reasons, we start with an introduction into the physics of Raman spectroscopy. Thereafter, a section is presenting a full description of the analysis pipeline and we structured the section into preprocessing approaches, dimension reduction techniques and analysis methods. Finally, we highlight emerging trends in the field of chemometrics for Raman spectra and shortly summarize applications of chemometrics for Raman spectra of tissue and cells.

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