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

07 March 2019, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


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.


Powder Diffraction
Structure Solution
Global optimization
Genetic algorithms


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