Solving non-periodic structures using direct methods: Phasing diffuse scattering

John Spence, J. S. Wu, C. Giacovazzo, B. Carrozzini, G. L. Cascarano, H. A. Padmore

Research output: Contribution to journalArticle

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Abstract

The problem of reconstructing the charge density of a non-periodic sample from its diffuse X-ray scattering is considered. For a sample known to be isolated, an artificial superlattice may be assumed and the numerical direct methods of crystallography applied to the continuous distribution of diffuse scattering in order to solve the phase problem. This method is applied to simulated soft-X-ray transmission speckle patterns from a two-dimensional array of gold balls of 50 nm diameter. The results are relevant to efforts to phase the scattering from many individual macromolecules that cannot be crystallized, and to the scattering from individual inorganic nanoparticles.

Original languageEnglish (US)
Pages (from-to)255-261
Number of pages7
JournalActa Crystallographica Section A: Foundations of Crystallography
Volume59
Issue number3
DOIs
StatePublished - May 1 2003

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ASJC Scopus subject areas

  • Structural Biology

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