Structure solution from powder data using a symmetry-mode parameter set
نویسندگان
چکیده
منابع مشابه
Subtleties in crystal structure solution from powder diffraction data using simulated annealing: ranitidine hydrochloride.
Recent advances in crystallographic computing and availability of high-resolution diffraction data have made it relatively easy to solve crystal structures from powders that would have traditionally required single crystal samples. The success of direct space methods depends heavily on starting with an accurate molecular model. In this paper we address the applicability of using these methods i...
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An overview of contemporary methods of crystal structure solution from powder diffraction data is given. Methods are compared with respect to their advantages and disadvantages. A choice of an appropriate method is discussed in the light of understanding the structural problem to be solved. The need of the variety of methods for the variety of problems is illustrated by examples. Some direction...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2017
ISSN: 2053-2733
DOI: 10.1107/s0108767317096799