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A New deconvolution procedure for ESR spectra

Brunetti, Antonio and Baffa Filho, Oswaldo (2000) A New deconvolution procedure for ESR spectra. Radiation Measurements, Vol. 32 (4), p. 361-369. ISSN 1350-4487. Article.

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DOI: 10.1016/S1350-4487(00)00045-7

Abstract

Quantitative determination of spin contents from complex spectra requires deconvolution of each peak. There are several ways to perform this task, the more common being the use of a non-linear fit such as the Marquardt–Levenberg algorithm (M–L). However this technique although very powerful and largely diffused fails when the initial set of parameters of the peaks are far from the true ones, i.e. when the sample composition is not a-priori completely known. In this case a new run with different initial values is required. This isn’t convenient for an automatic deconvolution procedure. Here a new procedure is presented, based on a genetic algorithm as a first step and a M–L method as the second step. The first step will always work regardless of the initial set of data but the accuracy obtainable is lower compared to the M–L technique. The accuracy is improved by using the parameter obtained in a subsequent algorithm employing the M–L method. However, due to the precision of the genetic algorithm presented here, the second step can sometimes be omitted. Results of some trials both on integral and differential spectra are reported and discussed here.

Item Type:Article
ID Code:5206
Status:Published
Refereed:Yes
Uncontrolled Keywords:ESR spectra, deconvolution
Subjects:Area 02 - Scienze fisiche > FIS/07 Fisica applicata (a beni culturali, ambientali, biologia e medicina)
Divisions:001 Università di Sassari > 03 Istituti > Matematica e fisica
Publisher:Pergamon
ISSN:1350-4487
Copyright Holders:© 2000 Elsevier Science
Deposited On:09 Dec 2010 13:40

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