Orienting single-molecule diffraction patterns from XFELs using heavy-metal explosion fragments

Zoltán Jurek, G. Faigel

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Single-molecule imaging is one of the main target areas of X-ray free-electron lasers. It relies on the possibility of orienting the large number of low-counting-statistics 2D diffraction patterns taken at random orientations of identical replicas of the sample. This is a difficult process and the low statistics limits the usability of orientation methods and ultimately it could prevent single-molecule imaging. We suggest a new approach, which avoids the orientation process from the diffraction patterns. We propose to determine sample orientation through identifying the direction of ejection fragments. The orientation of the sample is measured together with the diffraction pattern by detecting some fragments of the Coulomb explosion. We show by molecular-dynamics simulations that from the angular distribution of the fragments one can obtain the orientation of the samples.

Original languageEnglish
Article number16007
JournalEPL
Volume101
Issue number1
DOIs
Publication statusPublished - Jan 2013

Fingerprint

heavy metals
explosions
diffraction patterns
fragments
molecules
statistics
replicas
free electron lasers
ejection
counting
angular distribution
molecular dynamics
x rays
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Orienting single-molecule diffraction patterns from XFELs using heavy-metal explosion fragments. / Jurek, Zoltán; Faigel, G.

In: EPL, Vol. 101, No. 1, 16007, 01.2013.

Research output: Contribution to journalArticle

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