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A genetic algorithm for fitting Lorentzian line shapes in Mossbauer spectra

Nuclear Instruments and Methods in Physics Research B, 124: 633--638, 1997.
Authors: Hannu Ahonen and Paulo A. {de Souza Jr.} and Vijayendra Kumar Garg
Tags: algorithms genetic
Abstract: A genetic algorithm was implemented for finding an approximative solution to the problem of fitting a combination of Lorentzian lines to a measured Mossbauer spectrum. This iterative algorithm exploits the idea of letting several solutions (individuals) compete with each other for the opportunity of being selected to create new solutions (reproduction). Each solution was represend as a string of binary digits (chromossome). In addition, the bits in the new solutions may be switched randomly from zero to one or conversely (mutation). The input of the program that implements the genetic algorithm consists of the measured spectrum, the maximum velocity, the peak positions and the expected number of Lorentzian lines in the spectrum. Each line is represented with the help of three variables, which correspond to its intensity, full line width at hald maxima and peak position. An additional parameter was associated to the background level in the spectrum. A chi-2 test was used for determining the quality of each parameter combination (fitness). The results obtained seem to be very promising and encourage to further development of the algorithm and its implementation.
| BibTeX  
@article{Aho97,
title = {A genetic algorithm for fitting Lorentzian line shapes in Mossbauer spectra},
author = {Hannu Ahonen and Paulo A. {de Souza Jr.} and Vijayendra Kumar Garg},
journal = {Nuclear Instruments and Methods in Physics Research B},
month = {5 May},
pages = {633--638},
volume = {124},
year = {1997},
abstract = {A genetic algorithm was implemented for finding an approximative solution to the problem of fitting a combination of Lorentzian lines to a measured Mossbauer spectrum. This iterative algorithm exploits the idea of letting several solutions (individuals) compete with each other for the opportunity of being selected to create new solutions (reproduction). Each solution was represend as a string of binary digits (chromossome). In addition, the bits in the new solutions may be switched randomly from zero to one or conversely (mutation). The input of the program that implements the genetic algorithm consists of the measured spectrum, the maximum velocity, the peak positions and the expected number of Lorentzian lines in the spectrum. Each line is represented with the help of three variables, which correspond to its intensity, full line width at hald maxima and peak position. An additional parameter was associated to the background level in the spectrum. A chi-2 test was used for determining the quality of each parameter combination (fitness). The results obtained seem to be very promising and encourage to further development of the algorithm and its implementation.},
issn = {0168583X}, email = {souza@iacgu7.chemie.uni-mainz.de},
keywords = {algorithms genetic }
}