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

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

Research output: Contribution to journalArticle

2 Citations (Scopus)

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.

Original languageEnglish
Article number180201
JournalScientific Data
Volume5
DOIs
Publication statusPublished - Jan 1 2018

ASJC Scopus subject areas

  • Statistics and Probability
  • Information Systems
  • Education
  • Computer Science Applications
  • Statistics, Probability and Uncertainty
  • Library and Information Sciences

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  • Cite this

    Pande, K., Donatelli, J. J., Malmerberg, E., Foucar, L., Poon, B. K., Sutter, M., Botha, S., Basu, S., Doak, R. B., Dörner, K., Epp, S. W., Englert, L., Fromme, R., Hartmann, E., Hartmann, R., Hauser, G., Hattne, J., Hosseinizadeh, A., Kassemeyer, S., ... Zwart, P. H. (2018). Free-electron laser data for multiple-particle fluctuation scattering analysis. Scientific Data, 5, [180201]. https://doi.org/10.1038/sdata.2018.201