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Proceedings Paper

Computer-aided system for automatic peak searching and contour fitting in molecular spectra
Author(s): Alexander M. Pshenichnikov; Anatoly P. Shcherbakov
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Paper Abstract

The cybernetic methods are used for data processing in vibration-rotation spectroscopy, automatic line search and determination of spectroscopic parameters in 'large' spectra containing thousands of lines. The developed computer-aided system uses the pattern recognition (the potential function method), cluster analysis and non-linear least-squares fit. These techniques in combination with various statistical procedures allow one to perform automatic spectra analysis that represent to a user possibilities weren't available before. The searching procedure based on the pattern recognition technique provides good line detection and noise separation. The fitting procedure has regularization component that brings more robust spectra processing. The output file contains: frequency, intensity, half-width for each line and an error estimation of line position. The present results may be interested for computer specialists interested in the problems of pattern recognition and developments of the expert and instrumental information systems for molecular spectroscopy.

Paper Details

Date Published: 29 December 2000
PDF: 9 pages
Proc. SPIE 4341, Seventh International Symposium on Atmospheric and Ocean Optics, (29 December 2000); doi: 10.1117/12.411924
Show Author Affiliations
Alexander M. Pshenichnikov, Institute of Atmospheric Optics (Russia)
Anatoly P. Shcherbakov, Institute of Atmospheric Optics (Russia)

Published in SPIE Proceedings Vol. 4341:
Seventh International Symposium on Atmospheric and Ocean Optics
Gennadii G. Matvienko; Mikhail V. Panchenko, Editor(s)

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