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Issue 8, 2015
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Pre-processing of Fourier transform infrared spectra by means of multivariate analysis implemented in the R environment

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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.

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

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Publication details

The article was received on 02 Jan 2015, accepted on 17 Feb 2015 and first published on 27 Feb 2015


Article type: Paper
DOI: 10.1039/C5AN00002E
Citation: Analyst, 2015,140, 2810-2814
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    Pre-processing of Fourier transform infrared spectra by means of multivariate analysis implemented in the R environment

    K. Banas, A. Banas, M. Gajda, B. Pawlicki, W. M. Kwiatek and M. B. H. Breese, Analyst, 2015, 140, 2810
    DOI: 10.1039/C5AN00002E

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