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Application of pattern recognition in molecular spectroscopy: Automatic line search in high-resolution spectra

  • Molecular Spectroscopy
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Abstract

An expert system has been developed for the initial analysis of a recorded spectrum, namely, for the line search and the determination of line positions and intensities. The expert system is based on pattern recognition algorithms. Object recognition learning allows the system to achieve the needed flexibility and automatically detect groups of overlapping lines, whose profiles should be fit together. Gauss, Lorentz, and Voigt profiles are used as model profiles to which spectral lines are fit. The expert system was applied to processing of the Fourier transform spectrum of the D2O molecule in the region 3200–4200 cm−1, and it detected 4670 lines in the spectrum, which consisted of 439000 dots. No one experimentally observed line exceeding the noise level was missed.

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Authors and Affiliations

  1. Institute of Atmospheric Optics, Siberian Division, Russian Academy of Sciences, Tomsk, 630055, Russia

    A. D. Bykov, A. M. Pshenichnikov, L. N. Sinitsa & A. P. Shcherbakov

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  1. A. D. Bykov
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  2. A. M. Pshenichnikov
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  3. L. N. Sinitsa
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  4. A. P. Shcherbakov
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__________

Translated from Optika i Spektroskopiya, Vol. 96, No. 4, 2004, pp. 552–558.

Original Russian Text Copyright © 2004 by Bykov, Pshenichnikov, Sinitsa, Shcherbakov.

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Bykov, A.D., Pshenichnikov, A.M., Sinitsa, L.N. et al. Application of pattern recognition in molecular spectroscopy: Automatic line search in high-resolution spectra. Opt. Spectrosc. 96, 497–502 (2004). https://doi.org/10.1134/1.1719135

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  • DOI: https://doi.org/10.1134/1.1719135

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