Band Shape Analysis of Fourier Transform Infrared Spectra
- 1 July 1982
- journal article
- research article
- Published by SAGE Publications in Applied Spectroscopy
- Vol. 36 (4), 401-404
- https://doi.org/10.1366/0003702824639763
Abstract
The application of a finite difference Levenberg-Marquardt nonlinear least-squares procedure for the resoluton of overlapping peaks in Fourier transform-infrared spectra is described. Starting estimates of peak parameters utilized in the refinement are obtained from a numerically approximated second derivative spectrum which has been smoothed. Quantitative information reflecting the constituent peaks and the “goodness of fit” is displayed graphically in a procedure requiring much less than 1 min to both initiate and obtain results in a form that is readily interpreted.Keywords
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