Crystallographic data processing for free-electron laser sources

Thomas A. White, Anton Barty, Francesco Stellato, James M. Holton, Richard Kirian, Nadia Zatsepin, Henry N. Chapman

Research output: Contribution to journalArticle

92 Citations (Scopus)

Abstract

A processing pipeline for diffraction data acquired using the 'serial crystallography' methodology with a free-electron laser source is described with reference to the crystallographic analysis suite CrystFEL and the pre-processing program Cheetah. A detailed analysis of the nature and impact of indexing ambiguities is presented. Simulations of the Monte Carlo integration scheme, which accounts for the partially recorded nature of the diffraction intensities, are presented and show that the integration of partial reflections could be made to converge more quickly if the bandwidth of the X-rays were to be increased by a small amount or if a slight convergence angle were introduced into the incident beam.

Original languageEnglish (US)
Pages (from-to)1231-1240
Number of pages10
JournalActa Crystallographica Section D: Biological Crystallography
Volume69
Issue number7
DOIs
StatePublished - Jul 2013

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Acinonyx
Crystallography
Lasers
X-Rays
Electrons

ASJC Scopus subject areas

  • Structural Biology

Cite this

Crystallographic data processing for free-electron laser sources. / White, Thomas A.; Barty, Anton; Stellato, Francesco; Holton, James M.; Kirian, Richard; Zatsepin, Nadia; Chapman, Henry N.

In: Acta Crystallographica Section D: Biological Crystallography, Vol. 69, No. 7, 07.2013, p. 1231-1240.

Research output: Contribution to journalArticle

White, Thomas A. ; Barty, Anton ; Stellato, Francesco ; Holton, James M. ; Kirian, Richard ; Zatsepin, Nadia ; Chapman, Henry N. / Crystallographic data processing for free-electron laser sources. In: Acta Crystallographica Section D: Biological Crystallography. 2013 ; Vol. 69, No. 7. pp. 1231-1240.
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