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10.1107/S2059798317014462

http://scihub22266oqcxt.onion/10.1107/S2059798317014462
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C5947775!5947775 !29533237
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suck abstract from ncbi


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pmid29533237
      Acta+Crystallogr+D+Struct+Biol 2018 ; 74 (Pt 2 ): 117-124
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  • Substructure determination using phase-retrieval techniques #MMPMID29533237
  • Skubák P
  • Acta Crystallogr D Struct Biol 2018[Feb]; 74 (Pt 2 ): 117-124 PMID29533237 show ga
  • Thus far, the application of phase-retrieval methods in crystallography has mainly been aimed at variants of charge flipping or structure-factor flipping. In this work, the relaxed averaged alternating reflections (RAAR) algorithm is applied to determine anomalously scattering substructures from single-wavelength anomalous diffraction (SAD) data of macromolecules. The algorithm has been implemented in a new program, PRASA, and has been shown to significantly outperform charge flipping in determining anomalously scattering substructures on a test sample of 169 SAD data sets with resolutions up to 3.88?Ĺ.
  • |*Algorithms [MESH]
  • |*Models, Molecular [MESH]
  • |Crystallography, X-Ray/*methods [MESH]
  • |Macromolecular Substances/*chemistry [MESH]
  • |Molecular Structure [MESH]


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