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FIDDLE. Simultaneous Indexing and Structure Solution from Powder Diffraction Data using a Genetic Algorithm and Correlation Functions

preprint
submitted on 06.03.2019 and posted on 07.03.2019 by Carmen Guguta, Jan M.M. Smits, Rene de Gelder
A method for the determination of crystal structures from powder diffraction data is presented that circumvents the difficulties associated with separate indexing. For the simultaneous optimization of the parameters that describe a crystal structure a genetic algorithm is used together with a pattern matching technique based on auto and cross correlation functions.

Funding

This research was supported by the Technology Foundation STW, applied science division of NWO and the technology program of the Ministry of Economic Affairs.

History

Email Address of Submitting Author

r.degelder@science.ru.nl

Institution

Radboud University

Country

The Netherlands

ORCID For Submitting Author

0000-0001-6152-640X

Declaration of Conflict of Interest

no conflict of interest

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