Near-infrared spectroscopy: the new FT frontier--spectroscopic and chemometric considerations

Edward Stark

doi:10.1117/12.56285

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1 March 1992 Near-infrared spectroscopy: the new FT frontier--spectroscopic and chemometric considerations

Edward Stark

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Proceedings Volume 1575, 8th Intl Conf on Fourier Transform Spectroscopy; (1992) https://doi.org/10.1117/12.56285
Event: Eighth International Conference on Fourier Transform Spectroscopy, 1991, Lubeck-Travemunde, Germany

Abstract

Several orthogonal calibration sets of aliphatic and aromatic hydrocarbon mixtures have been designed to explore the effects of spectral resolution, spectral information within a spectral range, wavenumber imprecision and scale shifts, dynamic range, and noise on the chemometrically derived quantitative calibrations for hydrocarbon mixtures. The first two of these parameters have been studied on six very similar aromatic compounds in this, the first of a series of studies which also include aliphatic straight chain, branched, unsaturated, and cyclic compounds. The 6000 to 9500 cm-1 near-infrared derived chemometric calibration accuracy, as compared to gravimetric values, ranged from less than 0.04% to 0.2% error for each of the six components in the mixtures.

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Edward Stark "Near-infrared spectroscopy: the new FT frontier--spectroscopic and chemometric considerations", Proc. SPIE 1575, 8th Intl Conf on Fourier Transform Spectroscopy, (1 March 1992); https://doi.org/10.1117/12.56285

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