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GENEFP : a full‐profile fitting program for X‐ray powder patterns using the genetic algorithm
Author(s) -
Feng Zhen Jie,
Dong Cheng
Publication year - 2006
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889806014154
Subject(s) - genetic algorithm , algorithm , x ray , computer science , mathematics , physics , mathematical optimization , optics
GENEFP is a full‐profile fitting program, employing a fundamental‐parameters method, for Cu‐target X‐ray powder patterns. In this program, the Le Bail method is used to determine integrated intensities and the genetic algorithm is used to search for the proper fundamental parameters. When some parameters, such as the grain size, have large uncertainties, the genetic algorithm has an advantage over conventional least‐squares methods in finding the global extremum.