A General Computational Method for Converting Normal Spectra into Derivative Spectra

Authors: Yeow, Y. Leong; Leong, Y.K.

Source: Applied Spectroscopy, Volume 59, Issue 5, Pages 104A-114A and 545-705 (May 2005) , pp. 584-592(9)

Publisher: Society for Applied Spectroscopy

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Abstract:

The mathematical problem of converting a normal spectrum into the corresponding first- and second-derivative spectra is formulated as an integral equation of the first kind. Tikhonov regularization is then applied to solve the spectral conversion problem. The end result is a set of linear algebraic equations that takes in as input the original spectrum and produces as output the second-derivative spectrum, which is then integrated to yield the first-derivative spectrum. Noise amplification is kept under control by adjusting the regularization parameter (guided by generalized cross-validation) in the algebraic equations. The performance of this procedure is demonstrated by applying it to different types of spectral data taken from the literature.

Keywords: SPECTRAL CONVERSION; DERIVATIVE SPECTRA; ILL-POSED PROBLEM; INTEGRAL EQUATION; TIKHONOV REGULARIZATION

Document Type: Research article

DOI: http://dx.doi.org/10.1366/0003702053946056

Publication date: 2005-05-01

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