Phasing of coherent femtosecond X-ray diffraction from size-varying nanocrystals

John Spence; Richard Kirian; Xiaoyu Wang; Uwe Weierstall; Kevin Schmidt; Thomas White; Anton Barty; Henry N. Chapman; Stefano Marchesini; James Holton

doi:10.1364/OE.19.002866

Phasing of coherent femtosecond X-ray diffraction from size-varying nanocrystals

John Spence, Richard Kirian, Xiaoyu Wang, Uwe Weierstall, Kevin Schmidt, Thomas White, Anton Barty, Henry N. Chapman, Stefano Marchesini, James Holton

Research output: Contribution to journal › Article › peer-review

80 Scopus citations

Abstract

The scattering between Bragg reflections from nanocrystals is used to aid solution of the phase problem. We describe a method for reconstructing the charge density of a typical molecule within a single unit cell, if sufficiently finely-sampled "snap-shot" diffraction data (as provided a free-electron X-ray laser) are available from many nanocrystals of different sizes lying in random orientations. By using information on the particle-size distribution within the patterns, this digital method succeeds, using all the data, without knowledge of the distribution of particle size or requiring atomic-resolution data.

Original language	English (US)
Pages (from-to)	2866-2873
Number of pages	8
Journal	Optics Express
Volume	19
Issue number	4
DOIs	https://doi.org/10.1364/OE.19.002866
State	Published - Feb 14 2011

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics

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10.1364/OE.19.002866

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AU - Schmidt, Kevin

AU - White, Thomas

AU - Barty, Anton

AU - Chapman, Henry N.

AU - Marchesini, Stefano

AU - Holton, James

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AB - The scattering between Bragg reflections from nanocrystals is used to aid solution of the phase problem. We describe a method for reconstructing the charge density of a typical molecule within a single unit cell, if sufficiently finely-sampled "snap-shot" diffraction data (as provided a free-electron X-ray laser) are available from many nanocrystals of different sizes lying in random orientations. By using information on the particle-size distribution within the patterns, this digital method succeeds, using all the data, without knowledge of the distribution of particle size or requiring atomic-resolution data.

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Phasing of coherent femtosecond X-ray diffraction from size-varying nanocrystals

Abstract

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