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FIDDLE.pdf (2.06 MB)

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

submitted on 06.03.2019, 13:25 and posted on 07.03.2019, 14:28 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.


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


Email Address of Submitting Author


Radboud University


The Netherlands

ORCID For Submitting Author


Declaration of Conflict of Interest

no conflict of interest