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Figure 10
Example of PCR file prepared to perform a SAnn refinement in superspace (Cry=3, Ipr=-2, Jbt=-7, Irf=4) with modulation functions in spherical coordinates. The MSSG is generated from the provided operators. The limits of the Nre=22 parameters are quite large, so a global search is applied. The value of the parameter Accept means that the, in the last stages of the algorithm, it acts as a refinement procedure.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 81| Part 3| June 2025| Pages 302-317
https://doi.org/10.1107/S2052520625003944
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