Scientific article
OA Policy
English

FOX, Current State and Possibilities

Published inCrystals, vol. 7, no. 11, 322
Publication date2017
Abstract

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.

Keywords
  • Powder diffraction
  • Crystal structure solution
  • Global optimization
  • Reversed Monte Carlo
  • Simulated annealing
Research groups
Citation (ISO format)
CERNY, Radovan et al. FOX, Current State and Possibilities. In: Crystals, 2017, vol. 7, n° 11, p. 322. doi: 10.3390/cryst7100322
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Article (Published version)
Identifiers
Additional URL for this publicationhttp://www.mdpi.com/2073-4352/7/10/322
Journal ISSN2073-4352
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Technical informations

Creation23/11/2017 16:44:00
First validation23/11/2017 16:44:00
Update15/03/2023 02:28:40
Status update15/03/2023 02:28:40
Last indexation31/10/2024 08:49:21
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