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Media type:
E-Article
Title:
FOX, Current State and Possibilities
Contributor:
Černý, Radovan;
Favre-Nicolin, Vincent;
Rohlíček, Jan;
Hušák, Michal
Published:
MDPI AG, 2017
Published in:
Crystals, 7 (2017) 10, Seite 322
Language:
English
DOI:
10.3390/cryst7100322
ISSN:
2073-4352
Origination:
Footnote:
Description:
FOX (Free Objects for Xtallography) is a computer program for solving crystal structures of all types of compounds using the powder data (but also the single crystal data) measured using X-ray, neutron and electron diffraction. It works in direct space using the reversed Monte Carlo algorithm of global optimization. Since its release fifteen years ago, it has developed into a powerful tool, simplifying the powder pattern analysis starting from the background determination, indexing and space group selection over the structure modelling using various pre-programmed structural fragments up to the validation of the proposed structural model.