Literature DB >> 23364455

The charge-flipping algorithm in crystallography.

Lukáš Palatinus1.   

Abstract

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.

Entities:  

Keywords:  charge-flipping algorithm; dual-space methods; structure solution

Year:  2013        PMID: 23364455     DOI: 10.1107/S0108768112051361

Source DB:  PubMed          Journal:  Acta Crystallogr B        ISSN: 0108-7681


  10 in total

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Review 5.  Application of Patterson-function direct methods to materials characterization.

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Journal:  IUCrJ       Date:  2014-08-29       Impact factor: 4.769

6.  Photophysics of threaded sp-carbon chains: the polyyne is a sink for singlet and triplet excitation.

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7.  SHELXT - integrated space-group and crystal-structure determination.

Authors:  George M Sheldrick
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8.  Substructure determination using phase-retrieval techniques.

Authors:  Pavol Skubák
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9.  A semi-supervised deep-learning approach for automatic crystal structure classification.

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Journal:  J Appl Crystallogr       Date:  2022-07-28       Impact factor: 4.868

10.  Xtal-xplore-R: a graphical tool for exploring the residual function involved in crystal structure determination.

Authors:  Jan Marten Simons; Georg Roth
Journal:  J Appl Crystallogr       Date:  2015-07-28       Impact factor: 3.304

  10 in total

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