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      Cheetah: software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data

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          The emerging technique of serial X-ray diffraction requires new software tools for the efficient analysis of large volumes of data. Event selection early in the analysis pipeline is highly advantageous. The described software for classifying, sorting and analysing events is freely available to the general community.


          The emerging technique of serial X-ray diffraction, in which diffraction data are collected from samples flowing across a pulsed X-ray source at repetition rates of 100 Hz or higher, has necessitated the development of new software in order to handle the large data volumes produced. Sorting of data according to different criteria and rapid filtering of events to retain only diffraction patterns of interest results in significant reductions in data volume, thereby simplifying subsequent data analysis and management tasks. Meanwhile the generation of reduced data in the form of virtual powder patterns, radial stacks, histograms and other meta data creates data set summaries for analysis and overall experiment evaluation. Rapid data reduction early in the analysis pipeline is proving to be an essential first step in serial imaging experiments, prompting the authors to make the tool described in this article available to the general community. Originally developed for experiments at X-ray free-electron lasers, the software is based on a modular facility-independent library to promote portability between different experiments and is available under version 3 or later of the GNU General Public License.

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          Author and article information

          J Appl Crystallogr
          J Appl Crystallogr
          J. Appl. Cryst.
          Journal of Applied Crystallography
          International Union of Crystallography
          01 June 2014
          29 May 2014
          29 May 2014
          : 47
          : Pt 3 ( publisher-idID: j140300 )
          : 1118-1131
          [a ]Centre for Free Electron Laser Science, Deutsches Elektronen Synchrotron DESY , Notkestrasse 85, Hamburg 22607, Germany
          [b ]Laboratory of Molecular Biophysics, Department of Cell and Molecular Biology, Uppsala University , Uppsala, Sweden
          [c ]NERSC, Lawrence Berkeley National Laboratory , Berkeley, California, USA
          [d ]European XFEL GmbH, Albert Einstein Ring 19, Hamburg 22761, Germany
          [e ]University of Hamburg, Luruper Chaussee 14, Hamburg 22761, Germany
          Author notes
          Correspondence e-mail: anton.barty@
          he5638 JACGAR S1600576714007626
          © Anton Barty et al. 2014

          This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

          Research Papers

          Analytical chemistry

          serial x-ray diffraction, free-electron lasers, serial crystallography


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