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Single-particle structure determination by correlations of snapshot X-ray diffraction patterns

MPS-Authors
http://pubman.mpdl.mpg.de/cone/persons/resource/persons92817

Epp,  S.W.
Division Prof. Dr. Joachim H. Ullrich, MPI for Nuclear Physics, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons49162

Erk,  Benjamin
Division Prof. Dr. Joachim H. Ullrich, MPI for Nuclear Physics, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons4935

Kimmel,  N.
High Energy Astrophysics, MPI for Extraterrestrial Physics, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons49160

Rudek,  Benedikt
Division Prof. Dr. Joachim H. Ullrich, MPI for Nuclear Physics, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons30960

Rudenko,  A.
Division Prof. Dr. Joachim H. Ullrich, MPI for Nuclear Physics, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons20151

Weidenspointner,  G.
High Energy Astrophysics, MPI for Extraterrestrial Physics, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons31125

Ullrich,  J.
Division Prof. Dr. Joachim H. Ullrich, MPI for Nuclear Physics, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons4891

Strüder,  L.
High Energy Astrophysics, MPI for Extraterrestrial Physics, Max Planck Society;

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Citation

Starodub, D., Aquila, A., Bajt, S., Barthelmess, M., Barty, A., Bostedt, C., et al. (2012). Single-particle structure determination by correlations of snapshot X-ray diffraction patterns. Nature Communications, 3: 1276. doi:10.1038/ncomms2288.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0014-7277-8
Abstract
Diffractive imaging with free-electron lasers allows structure determination from ensembles of weakly scattering identical nanoparticles. The ultra-short, ultra-bright X-ray pulses provide snapshots of the randomly oriented particles frozen in time, and terminate before the onset of structural damage. As signal strength diminishes for small particles, the synthesis of a three-dimensional diffraction volume requires simultaneous involvement of all data. Here we report the first application of a three-dimensional spatial frequency correlation analysis to carry out this synthesis from noisy single-particle femtosecond X-ray diffraction patterns of nearly identical samples in random and unknown orientations, collected at the Linac Coherent Light Source. Our demonstration uses unsupported test particles created via aerosol self-assembly, and composed of two polystyrene spheres of equal diameter. The correlation analysis avoids the need for orientation determination entirely. This method may be applied to the structural determination of biological macromolecules in solution.