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The charge‐flipping algorithm in crystallography
Author(s) -
Palatinus Lukáš
Publication year - 2013
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
eISSN - 2052-5206
pISSN - 2052-5192
DOI - 10.1107/s2052519212051366
Subject(s) - charge (physics) , algorithm , crystallography , computer science , materials science , physics , chemistry , quantum mechanics
The charge‐flipping algorithm (CFA) is a member of the diverse family of dual‐space iterative phasing algorithms. These algorithms use alternating modifications in direct and reciprocal space to find a solution to the phase problem. The current state‐of‐the‐art CFA is reviewed and it is put in the context of related dual‐space algorithms with relevance for crystallography. The CFA has found applications in many crystallographic problems. The principal applications in various fields are described with sections devoted to routine structure solution, the solution of complex structures from powder diffraction data, the solution of incommensurately modulated crystals and quasicrystals, macromolecular crystallography and single‐particle imaging.