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

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

doi:10.1107/S0108767303005233

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

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

Materials Science and Engineering

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8 Scopus citations

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 language	English (US)
Pages (from-to)	255-261
Number of pages	7
Journal	Acta Crystallographica Section A: Foundations of Crystallography
Volume	59
Issue number	3
DOIs	https://doi.org/10.1107/S0108767303005233
State	Published - May 2003

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Structural Biology

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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.",

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AU - Spence, J. C H

AU - Wu, J. S.

AU - Giacovazzo, C.

AU - Carrozzini, B.

AU - Cascarano, G. L.

AU - Padmore, H. A.

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AB - 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.

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

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