Direct Phasing of Crystalline Materials from X-ray Powder Diffraction

  • Hongliang XuEmail author
Conference paper
Part of the Lecture Notes in Computer Science book series (LNCS, volume 10149)


The direct-methods phasing program, Shake-and-Bake for single crystal structure determination, has been adapted and modified to solve microcrystal structures from X-ray powder diffraction data.


X-ray powder diffraction Direct phasing methods Structure determination 



This research was partially supported by the Knowledge Building Grant from ExxonMobil Research and Engineering.


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Copyright information

© Springer International Publishing AG 2017

Authors and Affiliations

  1. 1.Mathematics DepartmentSUNY Buffalo StateBuffaloUSA
  2. 2.Hauptman-Woodward Medical Research InstituteBuffaloUSA

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