The charge-flipping algorithm in crystallography

被引:202
作者
Palatinus, Lukas [1 ]
机构
[1] ASCR, Inst Phys, Vvi, Prague 18221, Czech Republic
来源
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 2013年 / 69卷
关键词
POWDER DIFFRACTION DATA; INITIO STRUCTURE SOLUTION; ITERATIVE PHASE-RETRIEVAL; LOW-DENSITY ELIMINATION; MAXIMUM-ENTROPY METHOD; DIRECT-SPACE METHODS; CRYSTAL-STRUCTURES; VLD ALGORITHM; STRUCTURAL-CHARACTERIZATION; EXPERIMENTAL RESOLUTION;
D O I
10.1107/S0108768112051361
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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.
引用
收藏
页码:1 / 16
页数:16
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