Spectroscopy-06-01-2019

Spectroscopy

A newly discovered effect can introduce large errors in many multivariate spectroscopic calibration results. The CLS algorithm can be used to explain this effect. Having found this new effect that can introduce large errors in calibration results, an investigation of the effects of this phenomenon to calibrations using principal component regression (PCR) and partial least squares (PLS) is examined.

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Spectroscopy

In this study, FT-IR spectroscopy was used for identification of carbonate minerals in limestone with variable contents of magnesium. Associated spectral bands were identified and assigned. Results of studies of Triassic limestone samples taken from the area of the Polish part of the Germanic Basin using FT-IR are presented. The results of research show that substitution of Ca2+ by Mg2+ in the carbonate phase lattices leads to a continuous wavenumber increase in the assigned band locations.