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

8 Citations (Scopus)

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 2003

Fingerprint

Aurothioglucose
X-Rays
Scattering
Crystallography
scattering
Nanoparticles
Speckle
Charge density
X ray scattering
Macromolecules
Gold
speckle patterns
macromolecules
crystallography
balls
X rays
x rays
gold
nanoparticles

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Structural Biology

Cite this

Solving non-periodic structures using direct methods : Phasing diffuse scattering. / Spence, John; Wu, J. S.; Giacovazzo, C.; Carrozzini, B.; Cascarano, G. L.; Padmore, H. A.

In: Acta Crystallographica Section A: Foundations of Crystallography, Vol. 59, No. 3, 05.2003, p. 255-261.

Research output: Contribution to journalArticle

Spence, John ; Wu, J. S. ; Giacovazzo, C. ; Carrozzini, B. ; Cascarano, G. L. ; Padmore, H. A. / Solving non-periodic structures using direct methods : Phasing diffuse scattering. In: Acta Crystallographica Section A: Foundations of Crystallography. 2003 ; Vol. 59, No. 3. pp. 255-261.
@article{f53b45f9322d49aea32f01338caaa707,
title = "Solving non-periodic structures using direct methods: Phasing diffuse scattering",
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.",
author = "John Spence and Wu, {J. S.} and C. Giacovazzo and B. Carrozzini and Cascarano, {G. L.} and Padmore, {H. A.}",
year = "2003",
month = "5",
doi = "10.1107/S0108767303005233",
language = "English (US)",
volume = "59",
pages = "255--261",
journal = "Acta Crystallographica Section A: Foundations and Advances",
issn = "0108-7673",
publisher = "John Wiley and Sons Inc.",
number = "3",

}

TY - JOUR

T1 - Solving non-periodic structures using direct methods

T2 - Phasing diffuse scattering

AU - Spence, John

AU - Wu, J. S.

AU - Giacovazzo, C.

AU - Carrozzini, B.

AU - Cascarano, G. L.

AU - Padmore, H. A.

PY - 2003/5

Y1 - 2003/5

N2 - 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.

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.

UR - http://www.scopus.com/inward/record.url?scp=0037992504&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0037992504&partnerID=8YFLogxK

U2 - 10.1107/S0108767303005233

DO - 10.1107/S0108767303005233

M3 - Article

C2 - 12714777

AN - SCOPUS:0037992504

VL - 59

SP - 255

EP - 261

JO - Acta Crystallographica Section A: Foundations and Advances

JF - Acta Crystallographica Section A: Foundations and Advances

SN - 0108-7673

IS - 3

ER -