4.4 Article

Beyond the crystallization paradigm: Structure determination from diffraction patterns from ensembles of randomly oriented particles

Journal

ULTRAMICROSCOPY
Volume 111, Issue 7, Pages 798-806

Publisher

ELSEVIER SCIENCE BV
DOI: 10.1016/j.ultramic.2010.11.003

Keywords

X-ray diffraction; Fluctuation scattering; Angular correlations; Structure determination

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Funding

  1. DOE [DE-SC0002141, DE-FG02-06-ER46277]
  2. Research Growth Initiative of the University of Wisconsin-Milwaukee

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We amplify on the principles of the method we have recently proposed for recovering an oversampled diffraction pattern of a single particle from measured diffraction patterns from multiple particles in orientations related by rotation about an axis parallel to the incident radiation. We propose an alternative method of phasing a reference resolution ring by means of a non-negativity constraint on the diffraction intensities, point out the need for caution about enantiomeric ambiguities in the reconstruction of a diffraction pattern from its angular correlations, and show that converged correlations may be deduced by appropriate averaging of even very noisy data. (C) 2010 Elsevier B.V. All rights reserved.

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