Pre-processing of Fourier transform infrared spectra by means of multivariate analysis implemented in the R environment

The Analyst
Krzysztof BanasMark B H Breese

Abstract

Pre-processing of Fourier transform infrared (FTIR) spectra is typically the first and crucial step in data analysis. Very often hyperspectral datasets include the regions characterized by the spectra of very low intensity, for example two-dimensional (2D) maps where the areas with only support materials (like mylar foil) are present. In that case segmentation of the complete dataset is required before subsequent evaluation. The method proposed in this contribution is based on a multivariate approach (hierarchical cluster analysis), and shows its superiority when compared to the standard method of cutting-off by using only the mean spectral intensity. Both techniques were implemented and their performance was tested in the R statistical environment - open-source platform - that is a favourable solution if the repeatability and transparency are the key aspects.

References

Jul 21, 2004·Journal of Synchrotron Radiation·A MarcelliM Sanchez Del Rio
Jan 7, 2006·Journal of the Optical Society of America. A, Optics, Image Science, and Vision·Mariangela Cestelli GuidiEmilio Burattini
Apr 2, 2008·Analytical and Bioanalytical Chemistry·Liqun Wang, Boris Mizaikoff
May 29, 2009·The Analyst·Catherine KendallNicholas Stone
Mar 1, 2011·Forensic Science International : Synergy·Cyril MuehlethalerPierre Esseiva

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Citations

Aug 19, 2016·Biomedical Engineering Online·Robert Koprowski, Paweł Olczyk

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