Free-electron laser data for multiple-particle fluctuation scattering analysis

Pande, Kanupriya; Donatelli, Jeffrey J.; Malmerberg, Erik; Foucar, Lutz; Poon, Billy K.; Sutter, Markus; Botha, Sabine; Basu, Shibom; Doak, Bruce; Dörner, Katerina; Epp, Sascha W.; Englert, Lars; Fromme, Raimund; Hartmann, Elisabeth; Hartmann, Robert; Hauser, Guenter; Hattne, Johan; Hosseinizadeh, Ahmad; Kassemeyer, Stephan; Lomb, Lukas; Montero, Sebastian F. Carron; Menzel, Andreas; Rolles, Daniel; Rudenko, Artem; Seibert, Marvin M.; Sierra, Raymond George; Schwander, Peter; Ourmazd, Abbas; Fromme, Petra; Sauter, Nicholas K.; Bogan, Michael; Bozek, John; Bostedt, Christoph; Schlichting, Ilme; Kerfeld, Cheryl A.; Zwart, Petrus H.

doi:10.1038/sdata.2018.201

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Free-electron laser data for multiple-particle fluctuation scattering analysis

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Foucar, Lutz
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Botha, Sabine
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Doak, Bruce
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Hartmann, Elisabeth
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Kassemeyer, Stephan
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Lomb, Lukas
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Rolles, Daniel
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Schlichting, Ilme
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Citation

Pande, K., Donatelli, J. J., Malmerberg, E., Foucar, L., Poon, B. K., Sutter, M., et al. (2018). Free-electron laser data for multiple-particle fluctuation scattering analysis. Scientific Data, 5(180201), 1-7. doi:10.1038/sdata.2018.201.

Cite as: https://hdl.handle.net/21.11116/0000-0002-50B8-4

Abstract

Fluctuation X-ray scattering (FXS) is an emerging experimental technique in which solution scattering data are collected using X-ray exposures below rotational diffusion times, resulting in angularly anisotropic X-ray snapshots that provide several orders of magnitude more information than traditional solution scattering data. Such experiments can be performed using the ultrashort X-ray pulses provided by a free-electron laser source, allowing one to collect a large number of diffraction patterns in a relatively short time. Here, we describe a test data set for FXS, obtained at the Linac Coherent Light Source, consisting of close to 100 000 multi-particle diffraction patterns originating from approximately 50 to 200 Paramecium Bursaria Chlorella virus particles per snapshot. In addition to the raw data, a selection of high-quality pre-processed diffraction patterns and a reference SAXS profile are provided.