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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Single-shot diffraction data from the Mimivirus particle using an X-ray free-electron laser</title>
<author><name sortKey="Ekeberg, Tomas" sort="Ekeberg, Tomas" uniqKey="Ekeberg T" first="Tomas" last="Ekeberg">Tomas Ekeberg</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Svenda, Martin" sort="Svenda, Martin" uniqKey="Svenda M" first="Martin" last="Svenda">Martin Svenda</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Seibert, M Marvin" sort="Seibert, M Marvin" uniqKey="Seibert M" first="M. Marvin" last="Seibert">M. Marvin Seibert</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Abergel, Chantal" sort="Abergel, Chantal" uniqKey="Abergel C" first="Chantal" last="Abergel">Chantal Abergel</name>
<affiliation><nlm:aff id="a3"><institution>Information Génomique et Structurale (UMR7256) CNRS & Aix-Marseille Université, Institut de Microbiologie de la Méditerranée (FR3479), Parc Scientifique de Luminy</institution>
, Case 934, 13288 Marseille Cedex 9,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Maia, Filipe R N C" sort="Maia, Filipe R N C" uniqKey="Maia F" first="Filipe R. N. C." last="Maia">Filipe R. N. C. Maia</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Seltzer, Virginie" sort="Seltzer, Virginie" uniqKey="Seltzer V" first="Virginie" last="Seltzer">Virginie Seltzer</name>
<affiliation><nlm:aff id="a3"><institution>Information Génomique et Structurale (UMR7256) CNRS & Aix-Marseille Université, Institut de Microbiologie de la Méditerranée (FR3479), Parc Scientifique de Luminy</institution>
, Case 934, 13288 Marseille Cedex 9,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Deponte, Daniel P" sort="Deponte, Daniel P" uniqKey="Deponte D" first="Daniel P." last="Deponte">Daniel P. Deponte</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a4"><institution>LCLS, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Aquila, Andrew" sort="Aquila, Andrew" uniqKey="Aquila A" first="Andrew" last="Aquila">Andrew Aquila</name>
<affiliation><nlm:aff id="a4"><institution>LCLS, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a5"><institution>European XFEL</institution>
, Albert-Einstein-Ring 19, 22761 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Andreasson, Jakob" sort="Andreasson, Jakob" uniqKey="Andreasson J" first="Jakob" last="Andreasson">Jakob Andreasson</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Iwan, Bianca" sort="Iwan, Bianca" uniqKey="Iwan B" first="Bianca" last="Iwan">Bianca Iwan</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a6"><institution>Commissariat à l’énergie atomique et aux énergies alternatives, Centre d’études de Saclay</institution>
, 91191 Gif sur Yvette cedex,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Jonsson, Olof" sort="Jonsson, Olof" uniqKey="Jonsson O" first="Olof" last="Jönsson">Olof Jönsson</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a7"><institution>Molekyl- och kondenserade materiens fysik, Institutionen för Fysik och Astronomi, Uppsala University</institution>
, Lägerhyddsvägen 1 (Box 524), SE-751 20 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Westphal, Daniel" sort="Westphal, Daniel" uniqKey="Westphal D" first="Daniel" last="Westphal">Daniel Westphal</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Odi, Dusko" sort="Odi, Dusko" uniqKey="Odi D" first="Duško" last="Odi">Duško Odi</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Andersson, Inger" sort="Andersson, Inger" uniqKey="Andersson I" first="Inger" last="Andersson">Inger Andersson</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Barty, Anton" sort="Barty, Anton" uniqKey="Barty A" first="Anton" last="Barty">Anton Barty</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Liang, Meng" sort="Liang, Meng" uniqKey="Liang M" first="Meng" last="Liang">Meng Liang</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a4"><institution>LCLS, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Martin, Andrew V" sort="Martin, Andrew V" uniqKey="Martin A" first="Andrew V." last="Martin">Andrew V. Martin</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a8"><institution>The University of Melbourne</institution>
, 161 Barry Street, Parkville, 3010 Victoria,<country>Australia</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Gumprecht, Lars" sort="Gumprecht, Lars" uniqKey="Gumprecht L" first="Lars" last="Gumprecht">Lars Gumprecht</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Fleckenstein, Holger" sort="Fleckenstein, Holger" uniqKey="Fleckenstein H" first="Holger" last="Fleckenstein">Holger Fleckenstein</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Bajt, Sasa" sort="Bajt, Sasa" uniqKey="Bajt S" first="Saša" last="Bajt">Saša Bajt</name>
<affiliation><nlm:aff id="a9"><institution>Photon Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Barthelmess, Miriam" sort="Barthelmess, Miriam" uniqKey="Barthelmess M" first="Miriam" last="Barthelmess">Miriam Barthelmess</name>
<affiliation><nlm:aff id="a9"><institution>Photon Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Coppola, Nicola" sort="Coppola, Nicola" uniqKey="Coppola N" first="Nicola" last="Coppola">Nicola Coppola</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Claverie, Jean Michel" sort="Claverie, Jean Michel" uniqKey="Claverie J" first="Jean-Michel" last="Claverie">Jean-Michel Claverie</name>
<affiliation><nlm:aff id="a3"><institution>Information Génomique et Structurale (UMR7256) CNRS & Aix-Marseille Université, Institut de Microbiologie de la Méditerranée (FR3479), Parc Scientifique de Luminy</institution>
, Case 934, 13288 Marseille Cedex 9,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Loh, N Duane" sort="Loh, N Duane" uniqKey="Loh N" first="N. Duane" last="Loh">N. Duane Loh</name>
<affiliation><nlm:aff id="a10"><institution>Stanford PULSE Institute, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a11"><institution>Centre for BioImaging Sciences, National University of Singapore</institution>
, 14 Science Drive 4 Blk S1 A, Singapore 117546,<country>Singapore</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Bostedt, Christoph" sort="Bostedt, Christoph" uniqKey="Bostedt C" first="Christoph" last="Bostedt">Christoph Bostedt</name>
<affiliation><nlm:aff id="a4"><institution>LCLS, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Bozek, John D" sort="Bozek, John D" uniqKey="Bozek J" first="John D." last="Bozek">John D. Bozek</name>
<affiliation><nlm:aff id="a12"><institution>Synchrotron SOLEIL, L’orme des Merisiers roundabout of St Aubin</institution>
, 91190 Saint Aubin,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Krzywinski, Jacek" sort="Krzywinski, Jacek" uniqKey="Krzywinski J" first="Jacek" last="Krzywinski">Jacek Krzywinski</name>
<affiliation><nlm:aff id="a4"><institution>LCLS, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Messerschmidt, Marc" sort="Messerschmidt, Marc" uniqKey="Messerschmidt M" first="Marc" last="Messerschmidt">Marc Messerschmidt</name>
<affiliation><nlm:aff id="a4"><institution>LCLS, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Bogan, Michael J" sort="Bogan, Michael J" uniqKey="Bogan M" first="Michael J." last="Bogan">Michael J. Bogan</name>
<affiliation><nlm:aff id="a10"><institution>Stanford PULSE Institute, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Hampton, Christina Y" sort="Hampton, Christina Y" uniqKey="Hampton C" first="Christina Y." last="Hampton">Christina Y. Hampton</name>
<affiliation><nlm:aff id="a10"><institution>Stanford PULSE Institute, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Sierra, Raymond G" sort="Sierra, Raymond G" uniqKey="Sierra R" first="Raymond G." last="Sierra">Raymond G. Sierra</name>
<affiliation><nlm:aff id="a10"><institution>Stanford PULSE Institute, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Frank, Matthias" sort="Frank, Matthias" uniqKey="Frank M" first="Matthias" last="Frank">Matthias Frank</name>
<affiliation><nlm:aff id="a13"><institution>Lawrence Livermore National Laboratory</institution>
, 7000 East Avenue, Mail Stop L-211, Livermore, California 94551,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Shoeman, Robert L" sort="Shoeman, Robert L" uniqKey="Shoeman R" first="Robert L." last="Shoeman">Robert L. Shoeman</name>
<affiliation><nlm:aff id="a14"><institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Lomb, Lukas" sort="Lomb, Lukas" uniqKey="Lomb L" first="Lukas" last="Lomb">Lukas Lomb</name>
<affiliation><nlm:aff id="a14"><institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Foucar, Lutz" sort="Foucar, Lutz" uniqKey="Foucar L" first="Lutz" last="Foucar">Lutz Foucar</name>
<affiliation><nlm:aff id="a14"><institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Epp, Sascha W" sort="Epp, Sascha W" uniqKey="Epp S" first="Sascha W." last="Epp">Sascha W. Epp</name>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a16"><institution>Max-Planck-Institut für Kernphysik</institution>
, Saupfercheckweg 1, 69117 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Rolles, Daniel" sort="Rolles, Daniel" uniqKey="Rolles D" first="Daniel" last="Rolles">Daniel Rolles</name>
<affiliation><nlm:aff id="a14"><institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a17"><institution>Department of Physics, J.R. Macdonald Laboratory, Kansas State University</institution>
, 116 Cardwell Hall, Manhattan, Kansas 66506,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Rudenko, Artem" sort="Rudenko, Artem" uniqKey="Rudenko A" first="Artem" last="Rudenko">Artem Rudenko</name>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a16"><institution>Max-Planck-Institut für Kernphysik</institution>
, Saupfercheckweg 1, 69117 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a17"><institution>Department of Physics, J.R. Macdonald Laboratory, Kansas State University</institution>
, 116 Cardwell Hall, Manhattan, Kansas 66506,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Hartmann, Robert" sort="Hartmann, Robert" uniqKey="Hartmann R" first="Robert" last="Hartmann">Robert Hartmann</name>
<affiliation><nlm:aff id="a18"><institution>PNSensor GmbH</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Hartmann, Andreas" sort="Hartmann, Andreas" uniqKey="Hartmann A" first="Andreas" last="Hartmann">Andreas Hartmann</name>
<affiliation><nlm:aff id="a18"><institution>PNSensor GmbH</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Kimmel, Nils" sort="Kimmel, Nils" uniqKey="Kimmel N" first="Nils" last="Kimmel">Nils Kimmel</name>
<affiliation><nlm:aff id="a19"><institution>Max-Planck-Institut Halbleiterlabor</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a20"><institution>Max-Planck-Institut für extraterrestrische Physik</institution>
, Giessenbachstrasse, 85741 Garching,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Holl, Peter" sort="Holl, Peter" uniqKey="Holl P" first="Peter" last="Holl">Peter Holl</name>
<affiliation><nlm:aff id="a18"><institution>PNSensor GmbH</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Weidenspointner, Georg" sort="Weidenspointner, Georg" uniqKey="Weidenspointner G" first="Georg" last="Weidenspointner">Georg Weidenspointner</name>
<affiliation><nlm:aff id="a19"><institution>Max-Planck-Institut Halbleiterlabor</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a20"><institution>Max-Planck-Institut für extraterrestrische Physik</institution>
, Giessenbachstrasse, 85741 Garching,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Rudek, Benedikt" sort="Rudek, Benedikt" uniqKey="Rudek B" first="Benedikt" last="Rudek">Benedikt Rudek</name>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a16"><institution>Max-Planck-Institut für Kernphysik</institution>
, Saupfercheckweg 1, 69117 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Erk, Benjamin" sort="Erk, Benjamin" uniqKey="Erk B" first="Benjamin" last="Erk">Benjamin Erk</name>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a16"><institution>Max-Planck-Institut für Kernphysik</institution>
, Saupfercheckweg 1, 69117 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Kassemeyer, Stephan" sort="Kassemeyer, Stephan" uniqKey="Kassemeyer S" first="Stephan" last="Kassemeyer">Stephan Kassemeyer</name>
<affiliation><nlm:aff id="a14"><institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Schlichting, Ilme" sort="Schlichting, Ilme" uniqKey="Schlichting I" first="Ilme" last="Schlichting">Ilme Schlichting</name>
<affiliation><nlm:aff id="a14"><institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Struder, Lothar" sort="Struder, Lothar" uniqKey="Struder L" first="Lothar" last="Strüder">Lothar Strüder</name>
<affiliation><nlm:aff id="a18"><institution>PNSensor GmbH</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a21"><institution>Universität Siegen, Emmy-Noether Campus</institution>
, Walter Flex Str. 3, 57068 Siegen,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Ullrich, Joachim" sort="Ullrich, Joachim" uniqKey="Ullrich J" first="Joachim" last="Ullrich">Joachim Ullrich</name>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a16"><institution>Max-Planck-Institut für Kernphysik</institution>
, Saupfercheckweg 1, 69117 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a22"><institution>Physikalisch-Technische Bundesanstalt</institution>
, Bundesallee 100, 38116 Braunschweig,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Schmidt, Carlo" sort="Schmidt, Carlo" uniqKey="Schmidt C" first="Carlo" last="Schmidt">Carlo Schmidt</name>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a16"><institution>Max-Planck-Institut für Kernphysik</institution>
, Saupfercheckweg 1, 69117 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Krasniqi, Faton" sort="Krasniqi, Faton" uniqKey="Krasniqi F" first="Faton" last="Krasniqi">Faton Krasniqi</name>
<affiliation><nlm:aff id="a14"><institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Hauser, Gunter" sort="Hauser, Gunter" uniqKey="Hauser G" first="Günter" last="Hauser">Günter Hauser</name>
<affiliation><nlm:aff id="a19"><institution>Max-Planck-Institut Halbleiterlabor</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a20"><institution>Max-Planck-Institut für extraterrestrische Physik</institution>
, Giessenbachstrasse, 85741 Garching,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Reich, Christian" sort="Reich, Christian" uniqKey="Reich C" first="Christian" last="Reich">Christian Reich</name>
<affiliation><nlm:aff id="a18"><institution>PNSensor GmbH</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Soltau, Heike" sort="Soltau, Heike" uniqKey="Soltau H" first="Heike" last="Soltau">Heike Soltau</name>
<affiliation><nlm:aff id="a18"><institution>PNSensor GmbH</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Schorb, Sebastian" sort="Schorb, Sebastian" uniqKey="Schorb S" first="Sebastian" last="Schorb">Sebastian Schorb</name>
<affiliation><nlm:aff id="a23"><institution>Institut für Optik und Atomare Physik, Technische Universität Berlin</institution>
, Hardenbergstrasse 36, 10623 Berlin,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Hirsemann, Helmut" sort="Hirsemann, Helmut" uniqKey="Hirsemann H" first="Helmut" last="Hirsemann">Helmut Hirsemann</name>
<affiliation><nlm:aff id="a9"><institution>Photon Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Wunderer, Cornelia" sort="Wunderer, Cornelia" uniqKey="Wunderer C" first="Cornelia" last="Wunderer">Cornelia Wunderer</name>
<affiliation><nlm:aff id="a9"><institution>Photon Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Graafsma, Heinz" sort="Graafsma, Heinz" uniqKey="Graafsma H" first="Heinz" last="Graafsma">Heinz Graafsma</name>
<affiliation><nlm:aff id="a9"><institution>Photon Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Chapman, Henry" sort="Chapman, Henry" uniqKey="Chapman H" first="Henry" last="Chapman">Henry Chapman</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a24"><institution>University of Hamburg</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Hajdu, Janos" sort="Hajdu, Janos" uniqKey="Hajdu J" first="Janos" last="Hajdu">Janos Hajdu</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a5"><institution>European XFEL</institution>
, Albert-Einstein-Ring 19, 22761 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">PMC</idno>
<idno type="pmid">27479754</idno>
<idno type="pmc">4968188</idno>
<idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4968188</idno>
<idno type="RBID">PMC:4968188</idno>
<idno type="doi">10.1038/sdata.2016.60</idno>
<date when="2016">2016</date>
<idno type="wicri:Area/Pmc/Corpus">000670</idno>
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</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Single-shot diffraction data from the Mimivirus particle using an X-ray free-electron laser</title>
<author><name sortKey="Ekeberg, Tomas" sort="Ekeberg, Tomas" uniqKey="Ekeberg T" first="Tomas" last="Ekeberg">Tomas Ekeberg</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Svenda, Martin" sort="Svenda, Martin" uniqKey="Svenda M" first="Martin" last="Svenda">Martin Svenda</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Seibert, M Marvin" sort="Seibert, M Marvin" uniqKey="Seibert M" first="M. Marvin" last="Seibert">M. Marvin Seibert</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Abergel, Chantal" sort="Abergel, Chantal" uniqKey="Abergel C" first="Chantal" last="Abergel">Chantal Abergel</name>
<affiliation><nlm:aff id="a3"><institution>Information Génomique et Structurale (UMR7256) CNRS & Aix-Marseille Université, Institut de Microbiologie de la Méditerranée (FR3479), Parc Scientifique de Luminy</institution>
, Case 934, 13288 Marseille Cedex 9,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Maia, Filipe R N C" sort="Maia, Filipe R N C" uniqKey="Maia F" first="Filipe R. N. C." last="Maia">Filipe R. N. C. Maia</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Seltzer, Virginie" sort="Seltzer, Virginie" uniqKey="Seltzer V" first="Virginie" last="Seltzer">Virginie Seltzer</name>
<affiliation><nlm:aff id="a3"><institution>Information Génomique et Structurale (UMR7256) CNRS & Aix-Marseille Université, Institut de Microbiologie de la Méditerranée (FR3479), Parc Scientifique de Luminy</institution>
, Case 934, 13288 Marseille Cedex 9,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Deponte, Daniel P" sort="Deponte, Daniel P" uniqKey="Deponte D" first="Daniel P." last="Deponte">Daniel P. Deponte</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a4"><institution>LCLS, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Aquila, Andrew" sort="Aquila, Andrew" uniqKey="Aquila A" first="Andrew" last="Aquila">Andrew Aquila</name>
<affiliation><nlm:aff id="a4"><institution>LCLS, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a5"><institution>European XFEL</institution>
, Albert-Einstein-Ring 19, 22761 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Andreasson, Jakob" sort="Andreasson, Jakob" uniqKey="Andreasson J" first="Jakob" last="Andreasson">Jakob Andreasson</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Iwan, Bianca" sort="Iwan, Bianca" uniqKey="Iwan B" first="Bianca" last="Iwan">Bianca Iwan</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a6"><institution>Commissariat à l’énergie atomique et aux énergies alternatives, Centre d’études de Saclay</institution>
, 91191 Gif sur Yvette cedex,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Jonsson, Olof" sort="Jonsson, Olof" uniqKey="Jonsson O" first="Olof" last="Jönsson">Olof Jönsson</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a7"><institution>Molekyl- och kondenserade materiens fysik, Institutionen för Fysik och Astronomi, Uppsala University</institution>
, Lägerhyddsvägen 1 (Box 524), SE-751 20 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Westphal, Daniel" sort="Westphal, Daniel" uniqKey="Westphal D" first="Daniel" last="Westphal">Daniel Westphal</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Odi, Dusko" sort="Odi, Dusko" uniqKey="Odi D" first="Duško" last="Odi">Duško Odi</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Andersson, Inger" sort="Andersson, Inger" uniqKey="Andersson I" first="Inger" last="Andersson">Inger Andersson</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Barty, Anton" sort="Barty, Anton" uniqKey="Barty A" first="Anton" last="Barty">Anton Barty</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Liang, Meng" sort="Liang, Meng" uniqKey="Liang M" first="Meng" last="Liang">Meng Liang</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a4"><institution>LCLS, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Martin, Andrew V" sort="Martin, Andrew V" uniqKey="Martin A" first="Andrew V." last="Martin">Andrew V. Martin</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a8"><institution>The University of Melbourne</institution>
, 161 Barry Street, Parkville, 3010 Victoria,<country>Australia</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Gumprecht, Lars" sort="Gumprecht, Lars" uniqKey="Gumprecht L" first="Lars" last="Gumprecht">Lars Gumprecht</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Fleckenstein, Holger" sort="Fleckenstein, Holger" uniqKey="Fleckenstein H" first="Holger" last="Fleckenstein">Holger Fleckenstein</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Bajt, Sasa" sort="Bajt, Sasa" uniqKey="Bajt S" first="Saša" last="Bajt">Saša Bajt</name>
<affiliation><nlm:aff id="a9"><institution>Photon Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Barthelmess, Miriam" sort="Barthelmess, Miriam" uniqKey="Barthelmess M" first="Miriam" last="Barthelmess">Miriam Barthelmess</name>
<affiliation><nlm:aff id="a9"><institution>Photon Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Coppola, Nicola" sort="Coppola, Nicola" uniqKey="Coppola N" first="Nicola" last="Coppola">Nicola Coppola</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Claverie, Jean Michel" sort="Claverie, Jean Michel" uniqKey="Claverie J" first="Jean-Michel" last="Claverie">Jean-Michel Claverie</name>
<affiliation><nlm:aff id="a3"><institution>Information Génomique et Structurale (UMR7256) CNRS & Aix-Marseille Université, Institut de Microbiologie de la Méditerranée (FR3479), Parc Scientifique de Luminy</institution>
, Case 934, 13288 Marseille Cedex 9,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Loh, N Duane" sort="Loh, N Duane" uniqKey="Loh N" first="N. Duane" last="Loh">N. Duane Loh</name>
<affiliation><nlm:aff id="a10"><institution>Stanford PULSE Institute, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a11"><institution>Centre for BioImaging Sciences, National University of Singapore</institution>
, 14 Science Drive 4 Blk S1 A, Singapore 117546,<country>Singapore</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Bostedt, Christoph" sort="Bostedt, Christoph" uniqKey="Bostedt C" first="Christoph" last="Bostedt">Christoph Bostedt</name>
<affiliation><nlm:aff id="a4"><institution>LCLS, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Bozek, John D" sort="Bozek, John D" uniqKey="Bozek J" first="John D." last="Bozek">John D. Bozek</name>
<affiliation><nlm:aff id="a12"><institution>Synchrotron SOLEIL, L’orme des Merisiers roundabout of St Aubin</institution>
, 91190 Saint Aubin,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Krzywinski, Jacek" sort="Krzywinski, Jacek" uniqKey="Krzywinski J" first="Jacek" last="Krzywinski">Jacek Krzywinski</name>
<affiliation><nlm:aff id="a4"><institution>LCLS, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Messerschmidt, Marc" sort="Messerschmidt, Marc" uniqKey="Messerschmidt M" first="Marc" last="Messerschmidt">Marc Messerschmidt</name>
<affiliation><nlm:aff id="a4"><institution>LCLS, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Bogan, Michael J" sort="Bogan, Michael J" uniqKey="Bogan M" first="Michael J." last="Bogan">Michael J. Bogan</name>
<affiliation><nlm:aff id="a10"><institution>Stanford PULSE Institute, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Hampton, Christina Y" sort="Hampton, Christina Y" uniqKey="Hampton C" first="Christina Y." last="Hampton">Christina Y. Hampton</name>
<affiliation><nlm:aff id="a10"><institution>Stanford PULSE Institute, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Sierra, Raymond G" sort="Sierra, Raymond G" uniqKey="Sierra R" first="Raymond G." last="Sierra">Raymond G. Sierra</name>
<affiliation><nlm:aff id="a10"><institution>Stanford PULSE Institute, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Frank, Matthias" sort="Frank, Matthias" uniqKey="Frank M" first="Matthias" last="Frank">Matthias Frank</name>
<affiliation><nlm:aff id="a13"><institution>Lawrence Livermore National Laboratory</institution>
, 7000 East Avenue, Mail Stop L-211, Livermore, California 94551,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Shoeman, Robert L" sort="Shoeman, Robert L" uniqKey="Shoeman R" first="Robert L." last="Shoeman">Robert L. Shoeman</name>
<affiliation><nlm:aff id="a14"><institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Lomb, Lukas" sort="Lomb, Lukas" uniqKey="Lomb L" first="Lukas" last="Lomb">Lukas Lomb</name>
<affiliation><nlm:aff id="a14"><institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Foucar, Lutz" sort="Foucar, Lutz" uniqKey="Foucar L" first="Lutz" last="Foucar">Lutz Foucar</name>
<affiliation><nlm:aff id="a14"><institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Epp, Sascha W" sort="Epp, Sascha W" uniqKey="Epp S" first="Sascha W." last="Epp">Sascha W. Epp</name>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a16"><institution>Max-Planck-Institut für Kernphysik</institution>
, Saupfercheckweg 1, 69117 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Rolles, Daniel" sort="Rolles, Daniel" uniqKey="Rolles D" first="Daniel" last="Rolles">Daniel Rolles</name>
<affiliation><nlm:aff id="a14"><institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a17"><institution>Department of Physics, J.R. Macdonald Laboratory, Kansas State University</institution>
, 116 Cardwell Hall, Manhattan, Kansas 66506,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Rudenko, Artem" sort="Rudenko, Artem" uniqKey="Rudenko A" first="Artem" last="Rudenko">Artem Rudenko</name>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a16"><institution>Max-Planck-Institut für Kernphysik</institution>
, Saupfercheckweg 1, 69117 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a17"><institution>Department of Physics, J.R. Macdonald Laboratory, Kansas State University</institution>
, 116 Cardwell Hall, Manhattan, Kansas 66506,<country>USA</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Hartmann, Robert" sort="Hartmann, Robert" uniqKey="Hartmann R" first="Robert" last="Hartmann">Robert Hartmann</name>
<affiliation><nlm:aff id="a18"><institution>PNSensor GmbH</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Hartmann, Andreas" sort="Hartmann, Andreas" uniqKey="Hartmann A" first="Andreas" last="Hartmann">Andreas Hartmann</name>
<affiliation><nlm:aff id="a18"><institution>PNSensor GmbH</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Kimmel, Nils" sort="Kimmel, Nils" uniqKey="Kimmel N" first="Nils" last="Kimmel">Nils Kimmel</name>
<affiliation><nlm:aff id="a19"><institution>Max-Planck-Institut Halbleiterlabor</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a20"><institution>Max-Planck-Institut für extraterrestrische Physik</institution>
, Giessenbachstrasse, 85741 Garching,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Holl, Peter" sort="Holl, Peter" uniqKey="Holl P" first="Peter" last="Holl">Peter Holl</name>
<affiliation><nlm:aff id="a18"><institution>PNSensor GmbH</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Weidenspointner, Georg" sort="Weidenspointner, Georg" uniqKey="Weidenspointner G" first="Georg" last="Weidenspointner">Georg Weidenspointner</name>
<affiliation><nlm:aff id="a19"><institution>Max-Planck-Institut Halbleiterlabor</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a20"><institution>Max-Planck-Institut für extraterrestrische Physik</institution>
, Giessenbachstrasse, 85741 Garching,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Rudek, Benedikt" sort="Rudek, Benedikt" uniqKey="Rudek B" first="Benedikt" last="Rudek">Benedikt Rudek</name>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a16"><institution>Max-Planck-Institut für Kernphysik</institution>
, Saupfercheckweg 1, 69117 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Erk, Benjamin" sort="Erk, Benjamin" uniqKey="Erk B" first="Benjamin" last="Erk">Benjamin Erk</name>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a16"><institution>Max-Planck-Institut für Kernphysik</institution>
, Saupfercheckweg 1, 69117 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Kassemeyer, Stephan" sort="Kassemeyer, Stephan" uniqKey="Kassemeyer S" first="Stephan" last="Kassemeyer">Stephan Kassemeyer</name>
<affiliation><nlm:aff id="a14"><institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Schlichting, Ilme" sort="Schlichting, Ilme" uniqKey="Schlichting I" first="Ilme" last="Schlichting">Ilme Schlichting</name>
<affiliation><nlm:aff id="a14"><institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Struder, Lothar" sort="Struder, Lothar" uniqKey="Struder L" first="Lothar" last="Strüder">Lothar Strüder</name>
<affiliation><nlm:aff id="a18"><institution>PNSensor GmbH</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a21"><institution>Universität Siegen, Emmy-Noether Campus</institution>
, Walter Flex Str. 3, 57068 Siegen,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Ullrich, Joachim" sort="Ullrich, Joachim" uniqKey="Ullrich J" first="Joachim" last="Ullrich">Joachim Ullrich</name>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a16"><institution>Max-Planck-Institut für Kernphysik</institution>
, Saupfercheckweg 1, 69117 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a22"><institution>Physikalisch-Technische Bundesanstalt</institution>
, Bundesallee 100, 38116 Braunschweig,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Schmidt, Carlo" sort="Schmidt, Carlo" uniqKey="Schmidt C" first="Carlo" last="Schmidt">Carlo Schmidt</name>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a16"><institution>Max-Planck-Institut für Kernphysik</institution>
, Saupfercheckweg 1, 69117 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Krasniqi, Faton" sort="Krasniqi, Faton" uniqKey="Krasniqi F" first="Faton" last="Krasniqi">Faton Krasniqi</name>
<affiliation><nlm:aff id="a14"><institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a15"><institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Hauser, Gunter" sort="Hauser, Gunter" uniqKey="Hauser G" first="Günter" last="Hauser">Günter Hauser</name>
<affiliation><nlm:aff id="a19"><institution>Max-Planck-Institut Halbleiterlabor</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a20"><institution>Max-Planck-Institut für extraterrestrische Physik</institution>
, Giessenbachstrasse, 85741 Garching,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Reich, Christian" sort="Reich, Christian" uniqKey="Reich C" first="Christian" last="Reich">Christian Reich</name>
<affiliation><nlm:aff id="a18"><institution>PNSensor GmbH</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Soltau, Heike" sort="Soltau, Heike" uniqKey="Soltau H" first="Heike" last="Soltau">Heike Soltau</name>
<affiliation><nlm:aff id="a18"><institution>PNSensor GmbH</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Schorb, Sebastian" sort="Schorb, Sebastian" uniqKey="Schorb S" first="Sebastian" last="Schorb">Sebastian Schorb</name>
<affiliation><nlm:aff id="a23"><institution>Institut für Optik und Atomare Physik, Technische Universität Berlin</institution>
, Hardenbergstrasse 36, 10623 Berlin,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Hirsemann, Helmut" sort="Hirsemann, Helmut" uniqKey="Hirsemann H" first="Helmut" last="Hirsemann">Helmut Hirsemann</name>
<affiliation><nlm:aff id="a9"><institution>Photon Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Wunderer, Cornelia" sort="Wunderer, Cornelia" uniqKey="Wunderer C" first="Cornelia" last="Wunderer">Cornelia Wunderer</name>
<affiliation><nlm:aff id="a9"><institution>Photon Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Graafsma, Heinz" sort="Graafsma, Heinz" uniqKey="Graafsma H" first="Heinz" last="Graafsma">Heinz Graafsma</name>
<affiliation><nlm:aff id="a9"><institution>Photon Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Chapman, Henry" sort="Chapman, Henry" uniqKey="Chapman H" first="Henry" last="Chapman">Henry Chapman</name>
<affiliation><nlm:aff id="a2"><institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a24"><institution>University of Hamburg</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Hajdu, Janos" sort="Hajdu, Janos" uniqKey="Hajdu J" first="Janos" last="Hajdu">Janos Hajdu</name>
<affiliation><nlm:aff id="a1"><institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</nlm:aff>
</affiliation>
<affiliation><nlm:aff id="a5"><institution>European XFEL</institution>
, Albert-Einstein-Ring 19, 22761 Hamburg,<country>Germany</country>
</nlm:aff>
</affiliation>
</author>
</analytic>
<series><title level="j">Scientific Data</title>
<idno type="eISSN">2052-4463</idno>
<imprint><date when="2016">2016</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass></textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en"><p>Free-electron lasers (FEL) hold the potential to revolutionize structural biology by producing X-ray pules short enough to outrun radiation damage, thus allowing imaging of biological samples without the limitation from radiation damage. Thus, a major part of the scientific case for the first FELs was three-dimensional (3D) reconstruction of non-crystalline biological objects. In a recent publication we demonstrated the first 3D reconstruction of a biological object from an X-ray FEL using this technique. The sample was the giant Mimivirus, which is one of the largest known viruses with a diameter of 450 nm. Here we present the dataset used for this successful reconstruction. Data-analysis methods for single-particle imaging at FELs are undergoing heavy development but data collection relies on very limited time available through a highly competitive proposal process. This dataset provides experimental data to the entire community and could boost algorithm development and provide a benchmark dataset for new algorithms.</p>
</div>
</front>
<back><div1 type="bibliography"><listBibl><biblStruct><analytic><author><name sortKey="Ekeberg, T" uniqKey="Ekeberg T">T Ekeberg</name>
</author>
</analytic>
</biblStruct>
</listBibl>
</div1>
</back>
</TEI>
<pmc article-type="data-paper"><pmc-dir>properties open_access</pmc-dir>
<front><journal-meta><journal-id journal-id-type="nlm-ta">Sci Data</journal-id>
<journal-id journal-id-type="iso-abbrev">Sci Data</journal-id>
<journal-title-group><journal-title>Scientific Data</journal-title>
</journal-title-group>
<issn pub-type="epub">2052-4463</issn>
<publisher><publisher-name>Nature Publishing Group</publisher-name>
</publisher>
</journal-meta>
<article-meta><article-id pub-id-type="pmid">27479754</article-id>
<article-id pub-id-type="pmc">4968188</article-id>
<article-id pub-id-type="pii">sdata201660</article-id>
<article-id pub-id-type="doi">10.1038/sdata.2016.60</article-id>
<article-categories><subj-group subj-group-type="heading"><subject>Data Descriptor</subject>
</subj-group>
</article-categories>
<title-group><article-title>Single-shot diffraction data from the Mimivirus particle using an X-ray free-electron laser</article-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Ekeberg</surname>
<given-names>Tomas</given-names>
</name>
<xref ref-type="corresp" rid="c1">a</xref>
<xref ref-type="aff" rid="a1">1</xref>
<xref ref-type="aff" rid="a2">2</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Svenda</surname>
<given-names>Martin</given-names>
</name>
<xref ref-type="aff" rid="a1">1</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Seibert</surname>
<given-names>M. Marvin</given-names>
</name>
<xref ref-type="aff" rid="a1">1</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Abergel</surname>
<given-names>Chantal</given-names>
</name>
<xref ref-type="aff" rid="a3">3</xref>
<contrib-id contrib-id-type="orcid">http://orcid.org/0000-0003-1875-4049</contrib-id>
</contrib>
<contrib contrib-type="author"><name><surname>Maia</surname>
<given-names>Filipe R.N.C.</given-names>
</name>
<xref ref-type="aff" rid="a1">1</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Seltzer</surname>
<given-names>Virginie</given-names>
</name>
<xref ref-type="aff" rid="a3">3</xref>
</contrib>
<contrib contrib-type="author"><name><surname>DePonte</surname>
<given-names>Daniel P.</given-names>
</name>
<xref ref-type="aff" rid="a2">2</xref>
<xref ref-type="aff" rid="a4">4</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Aquila</surname>
<given-names>Andrew</given-names>
</name>
<xref ref-type="aff" rid="a4">4</xref>
<xref ref-type="aff" rid="a5">5</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Andreasson</surname>
<given-names>Jakob</given-names>
</name>
<xref ref-type="aff" rid="a1">1</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Iwan</surname>
<given-names>Bianca</given-names>
</name>
<xref ref-type="aff" rid="a1">1</xref>
<xref ref-type="aff" rid="a6">6</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Jönsson</surname>
<given-names>Olof</given-names>
</name>
<xref ref-type="aff" rid="a1">1</xref>
<xref ref-type="aff" rid="a7">7</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Westphal</surname>
<given-names>Daniel</given-names>
</name>
<xref ref-type="aff" rid="a1">1</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Odić</surname>
<given-names>Duško</given-names>
</name>
<xref ref-type="aff" rid="a1">1</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Andersson</surname>
<given-names>Inger</given-names>
</name>
<xref ref-type="aff" rid="a1">1</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Barty</surname>
<given-names>Anton</given-names>
</name>
<xref ref-type="aff" rid="a2">2</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Liang</surname>
<given-names>Meng</given-names>
</name>
<xref ref-type="aff" rid="a2">2</xref>
<xref ref-type="aff" rid="a4">4</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Martin</surname>
<given-names>Andrew V.</given-names>
</name>
<xref ref-type="aff" rid="a2">2</xref>
<xref ref-type="aff" rid="a8">8</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Gumprecht</surname>
<given-names>Lars</given-names>
</name>
<xref ref-type="aff" rid="a2">2</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Fleckenstein</surname>
<given-names>Holger</given-names>
</name>
<xref ref-type="aff" rid="a2">2</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Bajt</surname>
<given-names>Saša</given-names>
</name>
<xref ref-type="aff" rid="a9">9</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Barthelmess</surname>
<given-names>Miriam</given-names>
</name>
<xref ref-type="aff" rid="a9">9</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Coppola</surname>
<given-names>Nicola</given-names>
</name>
<xref ref-type="aff" rid="a2">2</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Claverie</surname>
<given-names>Jean-Michel</given-names>
</name>
<xref ref-type="aff" rid="a3">3</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Loh</surname>
<given-names>N. Duane</given-names>
</name>
<xref ref-type="aff" rid="a10">10</xref>
<xref ref-type="aff" rid="a11">11</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Bostedt</surname>
<given-names>Christoph</given-names>
</name>
<xref ref-type="aff" rid="a4">4</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Bozek</surname>
<given-names>John D.</given-names>
</name>
<xref ref-type="aff" rid="a12">12</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Krzywinski</surname>
<given-names>Jacek</given-names>
</name>
<xref ref-type="aff" rid="a4">4</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Messerschmidt</surname>
<given-names>Marc</given-names>
</name>
<xref ref-type="aff" rid="a4">4</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Bogan</surname>
<given-names>Michael J.</given-names>
</name>
<xref ref-type="aff" rid="a10">10</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Hampton</surname>
<given-names>Christina Y.</given-names>
</name>
<xref ref-type="aff" rid="a10">10</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Sierra</surname>
<given-names>Raymond G.</given-names>
</name>
<xref ref-type="aff" rid="a10">10</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Frank</surname>
<given-names>Matthias</given-names>
</name>
<xref ref-type="aff" rid="a13">13</xref>
<contrib-id contrib-id-type="orcid">http://orcid.org/0000-0002-5244-0791</contrib-id>
</contrib>
<contrib contrib-type="author"><name><surname>Shoeman</surname>
<given-names>Robert L.</given-names>
</name>
<xref ref-type="aff" rid="a14">14</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Lomb</surname>
<given-names>Lukas</given-names>
</name>
<xref ref-type="aff" rid="a14">14</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Foucar</surname>
<given-names>Lutz</given-names>
</name>
<xref ref-type="aff" rid="a14">14</xref>
<xref ref-type="aff" rid="a15">15</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Epp</surname>
<given-names>Sascha W.</given-names>
</name>
<xref ref-type="aff" rid="a15">15</xref>
<xref ref-type="aff" rid="a16">16</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Rolles</surname>
<given-names>Daniel</given-names>
</name>
<xref ref-type="aff" rid="a14">14</xref>
<xref ref-type="aff" rid="a15">15</xref>
<xref ref-type="aff" rid="a17">17</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Rudenko</surname>
<given-names>Artem</given-names>
</name>
<xref ref-type="aff" rid="a15">15</xref>
<xref ref-type="aff" rid="a16">16</xref>
<xref ref-type="aff" rid="a17">17</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Hartmann</surname>
<given-names>Robert</given-names>
</name>
<xref ref-type="aff" rid="a18">18</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Hartmann</surname>
<given-names>Andreas</given-names>
</name>
<xref ref-type="aff" rid="a18">18</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Kimmel</surname>
<given-names>Nils</given-names>
</name>
<xref ref-type="aff" rid="a19">19</xref>
<xref ref-type="aff" rid="a20">20</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Holl</surname>
<given-names>Peter</given-names>
</name>
<xref ref-type="aff" rid="a18">18</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Weidenspointner</surname>
<given-names>Georg</given-names>
</name>
<xref ref-type="aff" rid="a19">19</xref>
<xref ref-type="aff" rid="a20">20</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Rudek</surname>
<given-names>Benedikt</given-names>
</name>
<xref ref-type="aff" rid="a15">15</xref>
<xref ref-type="aff" rid="a16">16</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Erk</surname>
<given-names>Benjamin</given-names>
</name>
<xref ref-type="aff" rid="a15">15</xref>
<xref ref-type="aff" rid="a16">16</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Kassemeyer</surname>
<given-names>Stephan</given-names>
</name>
<xref ref-type="aff" rid="a14">14</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Schlichting</surname>
<given-names>Ilme</given-names>
</name>
<xref ref-type="aff" rid="a14">14</xref>
<xref ref-type="aff" rid="a15">15</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Strüder</surname>
<given-names>Lothar</given-names>
</name>
<xref ref-type="aff" rid="a18">18</xref>
<xref ref-type="aff" rid="a21">21</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Ullrich</surname>
<given-names>Joachim</given-names>
</name>
<xref ref-type="aff" rid="a15">15</xref>
<xref ref-type="aff" rid="a16">16</xref>
<xref ref-type="aff" rid="a22">22</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Schmidt</surname>
<given-names>Carlo</given-names>
</name>
<xref ref-type="aff" rid="a15">15</xref>
<xref ref-type="aff" rid="a16">16</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Krasniqi</surname>
<given-names>Faton</given-names>
</name>
<xref ref-type="aff" rid="a14">14</xref>
<xref ref-type="aff" rid="a15">15</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Hauser</surname>
<given-names>Günter</given-names>
</name>
<xref ref-type="aff" rid="a19">19</xref>
<xref ref-type="aff" rid="a20">20</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Reich</surname>
<given-names>Christian</given-names>
</name>
<xref ref-type="aff" rid="a18">18</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Soltau</surname>
<given-names>Heike</given-names>
</name>
<xref ref-type="aff" rid="a18">18</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Schorb</surname>
<given-names>Sebastian</given-names>
</name>
<xref ref-type="aff" rid="a23">23</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Hirsemann</surname>
<given-names>Helmut</given-names>
</name>
<xref ref-type="aff" rid="a9">9</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Wunderer</surname>
<given-names>Cornelia</given-names>
</name>
<xref ref-type="aff" rid="a9">9</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Graafsma</surname>
<given-names>Heinz</given-names>
</name>
<xref ref-type="aff" rid="a9">9</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Chapman</surname>
<given-names>Henry</given-names>
</name>
<xref ref-type="aff" rid="a2">2</xref>
<xref ref-type="aff" rid="a24">24</xref>
<contrib-id contrib-id-type="orcid">http://orcid.org/0000-0002-4655-1743</contrib-id>
</contrib>
<contrib contrib-type="author"><name><surname>Hajdu</surname>
<given-names>Janos</given-names>
</name>
<xref ref-type="aff" rid="a1">1</xref>
<xref ref-type="aff" rid="a5">5</xref>
</contrib>
<aff id="a1"><label>1</label>
<institution>Department of Cell and Molecular Biology, Laboratory of Molecular Biophysics, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,<country>Sweden</country>
</aff>
<aff id="a2"><label>2</label>
<institution>Center for Free-Electron Laser Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</aff>
<aff id="a3"><label>3</label>
<institution>Information Génomique et Structurale (UMR7256) CNRS & Aix-Marseille Université, Institut de Microbiologie de la Méditerranée (FR3479), Parc Scientifique de Luminy</institution>
, Case 934, 13288 Marseille Cedex 9,<country>France</country>
</aff>
<aff id="a4"><label>4</label>
<institution>LCLS, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</aff>
<aff id="a5"><label>5</label>
<institution>European XFEL</institution>
, Albert-Einstein-Ring 19, 22761 Hamburg,<country>Germany</country>
</aff>
<aff id="a6"><label>6</label>
<institution>Commissariat à l’énergie atomique et aux énergies alternatives, Centre d’études de Saclay</institution>
, 91191 Gif sur Yvette cedex,<country>France</country>
</aff>
<aff id="a7"><label>7</label>
<institution>Molekyl- och kondenserade materiens fysik, Institutionen för Fysik och Astronomi, Uppsala University</institution>
, Lägerhyddsvägen 1 (Box 524), SE-751 20 Uppsala,<country>Sweden</country>
</aff>
<aff id="a8"><label>8</label>
<institution>The University of Melbourne</institution>
, 161 Barry Street, Parkville, 3010 Victoria,<country>Australia</country>
</aff>
<aff id="a9"><label>9</label>
<institution>Photon Science, DESY</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</aff>
<aff id="a10"><label>10</label>
<institution>Stanford PULSE Institute, SLAC National Accelerator Laboratory</institution>
, 2575 Sand Hill Road, Menlo Park, California 94025,<country>USA</country>
</aff>
<aff id="a11"><label>11</label>
<institution>Centre for BioImaging Sciences, National University of Singapore</institution>
, 14 Science Drive 4 Blk S1 A, Singapore 117546,<country>Singapore</country>
</aff>
<aff id="a12"><label>12</label>
<institution>Synchrotron SOLEIL, L’orme des Merisiers roundabout of St Aubin</institution>
, 91190 Saint Aubin,<country>France</country>
</aff>
<aff id="a13"><label>13</label>
<institution>Lawrence Livermore National Laboratory</institution>
, 7000 East Avenue, Mail Stop L-211, Livermore, California 94551,<country>USA</country>
</aff>
<aff id="a14"><label>14</label>
<institution>Max-Planck-Institut für medizinische Forschung</institution>
, Jahnstr. 29, 69120 Heidelberg,<country>Germany</country>
</aff>
<aff id="a15"><label>15</label>
<institution>Max Planck Advanced Study Group, Center for Free Electron Laser Science</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</aff>
<aff id="a16"><label>16</label>
<institution>Max-Planck-Institut für Kernphysik</institution>
, Saupfercheckweg 1, 69117 Heidelberg,<country>Germany</country>
</aff>
<aff id="a17"><label>17</label>
<institution>Department of Physics, J.R. Macdonald Laboratory, Kansas State University</institution>
, 116 Cardwell Hall, Manhattan, Kansas 66506,<country>USA</country>
</aff>
<aff id="a18"><label>18</label>
<institution>PNSensor GmbH</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</aff>
<aff id="a19"><label>19</label>
<institution>Max-Planck-Institut Halbleiterlabor</institution>
, Otto-Hahn-Ring 6, 81739 Munich,<country>Germany</country>
</aff>
<aff id="a20"><label>20</label>
<institution>Max-Planck-Institut für extraterrestrische Physik</institution>
, Giessenbachstrasse, 85741 Garching,<country>Germany</country>
</aff>
<aff id="a21"><label>21</label>
<institution>Universität Siegen, Emmy-Noether Campus</institution>
, Walter Flex Str. 3, 57068 Siegen,<country>Germany</country>
</aff>
<aff id="a22"><label>22</label>
<institution>Physikalisch-Technische Bundesanstalt</institution>
, Bundesallee 100, 38116 Braunschweig,<country>Germany</country>
</aff>
<aff id="a23"><label>23</label>
<institution>Institut für Optik und Atomare Physik, Technische Universität Berlin</institution>
, Hardenbergstrasse 36, 10623 Berlin,<country>Germany</country>
</aff>
<aff id="a24"><label>24</label>
<institution>University of Hamburg</institution>
, Notkestrasse 85, 22607 Hamburg,<country>Germany</country>
</aff>
</contrib-group>
<author-notes><corresp id="c1"><label>a</label>
T.E. (email: <email>ekeberg@xray.bmc.uu.se</email>
).</corresp>
<fn id="con"><label></label>
<p>T.E. wrote the manuscript with contributions from all authors. C.A., J.-M.C., V.S. contributed the Mimivirus particles. D.D.P., R.L.S., L.L., M.J.B. developed and ran the sample delivery system. O.J., D.W., B.I., C.Y.H., R.S., M.S., D.O. prepared the samples and performed offline injection analysis. L.F., S.K. performed the online data analysis. MM.L., N.-T.D.L., F.R.N.C.M., M.F.H., T.E., A.M., A.B. performed offline data analysis. L.F., S.W.E., D.R., A.R., B.R., B.E., J.U., C.S., F.K., I.S. designed, constructed, and operated the CAMP instrument. R.H., A.H., N.K., P.H., L.S., G.W., G.H., C.R., and H.S. designed, constructed, and operated the pnCCD detectors. C.W., H.H., and H.G. contributed to the detector and its implementation. S.B., M.B., H.F., and L.G. contributed instrumentation. J.K. characterized the FEL focus. A.A., J.A., B.I., M.M., S.S., N.C., C.B., J.D.B., M.F., M.S., and J.A. were involved in collecting the data. C.B. and J.D.B. were in charge of the AMO endstation. I.S., M.B., H.C., and J.H. designed the experiment. I.A. and J.H. conceived the experiment.</p>
</fn>
</author-notes>
<pub-date pub-type="epub"><day>01</day>
<month>08</month>
<year>2016</year>
</pub-date>
<pub-date pub-type="collection"><year>2016</year>
</pub-date>
<volume>3</volume>
<elocation-id>160060</elocation-id>
<history><date date-type="received"><day>04</day>
<month>02</month>
<year>2016</year>
</date>
<date date-type="accepted"><day>22</day>
<month>06</month>
<year>2016</year>
</date>
</history>
<permissions><copyright-statement>Copyright © 2016, Macmillan Publishers Limited</copyright-statement>
<copyright-year>2016</copyright-year>
<copyright-holder>Macmillan Publishers Limited</copyright-holder>
<license license-type="open-access" xlink:href="http://creativecommons.org/licenses/by/4.0"><pmc-comment>author-paid</pmc-comment>
<license-p>This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit <ext-link ext-link-type="uri" xlink:href="http://creativecommons.org/licenses/by/4.0">http://creativecommons.org/licenses/by/4.0</ext-link>
Metadata associated with this Data Descriptor is available at <ext-link ext-link-type="uri" xlink:href="http://www.nature.com/sdata/">http://www.nature.com/sdata/</ext-link>
and is released under the CC0 waiver to maximize reuse.
</license-p>
</license>
</permissions>
<related-article ext-link-type="doi" related-article-type="data-paper-referrer" id="d33e19" xlink:href="10.1103/PhysRevLett.114.098102"></related-article>
<abstract><p>Free-electron lasers (FEL) hold the potential to revolutionize structural biology by producing X-ray pules short enough to outrun radiation damage, thus allowing imaging of biological samples without the limitation from radiation damage. Thus, a major part of the scientific case for the first FELs was three-dimensional (3D) reconstruction of non-crystalline biological objects. In a recent publication we demonstrated the first 3D reconstruction of a biological object from an X-ray FEL using this technique. The sample was the giant Mimivirus, which is one of the largest known viruses with a diameter of 450 nm. Here we present the dataset used for this successful reconstruction. Data-analysis methods for single-particle imaging at FELs are undergoing heavy development but data collection relies on very limited time available through a highly competitive proposal process. This dataset provides experimental data to the entire community and could boost algorithm development and provide a benchmark dataset for new algorithms.</p>
</abstract>
<kwd-group kwd-group-type="npg.subject"><title>Subject terms</title>
<kwd>Biological physics</kwd>
<kwd>Virus structures</kwd>
<kwd>X-rays</kwd>
</kwd-group>
</article-meta>
</front>
<body><sec disp-level="1"><title>Background & Summary</title>
<p>Free-electron lasers (FEL) provide ultra short and extremely bright pulses of coherent X-rays<sup><xref ref-type="bibr" rid="b1">1</xref>
</sup>
. It has been predicted that such pulses could enable structure determination without crystallization by outrunning radiation damage and thus capturing diffraction data before the particle has time to respond and eventually be destroyed by the deposited energy<sup><xref ref-type="bibr" rid="b2">2</xref>
</sup>
. Experimental verification of this ‘diffraction-before-destruction’ principle has been demonstrated several times for resolution down to 10 nm (refs <xref ref-type="bibr" rid="b3">3</xref>
,<xref ref-type="bibr" rid="b4">4</xref>
).</p>
<p>Using many such diffraction patterns from multiple copies of a reproducible sample, the patterns could be assembled into a 3D diffraction space from which the 3D structure could be derived<sup><xref ref-type="bibr" rid="b5">5</xref>
,<xref ref-type="bibr" rid="b6">6</xref>
</sup>
. This promise was a main part of the scientific case for building free-electron lasers<sup><xref ref-type="bibr" rid="b7">7</xref>
</sup>
. Several examples of 2D reconstructions from biological samples at X-ray FEL have been demonstrated<sup><xref ref-type="bibr" rid="b4">4</xref>
,<xref ref-type="bibr" rid="b8">8</xref>
,<xref ref-type="bibr" rid="b9">9</xref>
</sup>
but 3D reconstructions have remained elusive.</p>
<p>A single diffraction pattern represents a curved slice through the Fourier transform of the electron density of the object. For successful 3D reconstruction many diffraction patterns from identical particles need to be assembled into the complete 3D Fourier transform of the particle. This is difficult since the orientation of the injected particles is unknown and has to be recovered from the diffraction data alone. A recent paper<sup><xref ref-type="bibr" rid="b10">10</xref>
</sup>
demonstrates this, using a modified version of the expand, maximize and compress algorithm<sup><xref ref-type="bibr" rid="b5">5</xref>
</sup>
(EMC) on the Mimivirus particle. Here we describe the data collection, data preprocessing and the dataset that was used for this reconstruction.</p>
<p>Today, beam time at free-electron lasers is scarce as there are few facilities and they serve a multitude of scientific disciplines. Furthermore, applications such as 3D imaging require a large amount of effort in algorithm development and testing. Several groups around the world are active in this development but the majority of them don’t have regular beam time access. This dataset can thus serve as a benchmark for algorithm testing and give many more groups access to experimental data.</p>
<p>For any new method, validation tools are of crucial importance. Therefore, together with the 3D reconstruction of the Mimivirus we also presented two new validation methods<sup><xref ref-type="bibr" rid="b10">10</xref>
</sup>
. Further development of these methods, and the development of new ones will therefore benefit from being applied to this dataset in particular.</p>
<p>The sample in this dataset is the Mimivirus (<italic>Acanthamoeba polyphaga mimivirus</italic>
)<sup><xref ref-type="bibr" rid="b11">11</xref>
,<xref ref-type="bibr" rid="b12">12</xref>
</sup>
. Mimivirus is part of a recently discovered class of giant DNA viruses. Viral capsid is pseudo-icosahedral with a corner-to-corner diameter of 500 nm and a face-to-face diameter of 400 nm (ref. <xref ref-type="bibr" rid="b13">13</xref>
). The virus is covered by fibres with a length of 125 nm giving it a total diameter of 750 nm (ref. <xref ref-type="bibr" rid="b14">14</xref>
).</p>
</sec>
<sec disp-level="1"><title>Methods</title>
<p>These methods were described in ref. <xref ref-type="bibr" rid="b10">10</xref>
. The description here is more detailed with regards to data collection and on-line data analysis.</p>
<sec disp-level="2"><title>Sample injection</title>
<p>Purified Mimivirus particles<sup><xref ref-type="bibr" rid="b15">15</xref>
</sup>
were transferred into a volatile buffer (250 mM ammonium acetate, pH 7.5) and the suspension was aerosolized with helium in a gas dynamic nebulizer<sup><xref ref-type="bibr" rid="b16">16</xref>
</sup>
. The aerosol of hydrated and adiabatically cooled particles entered a differentially pumped aerodynamic lens<sup><xref ref-type="bibr" rid="b17">17</xref>
</sup>
.</p>
</sec>
<sec disp-level="2"><title>Data collection</title>
<p>Experiments were performed at the Atomic Molecular Optics (AMO) beam line<sup><xref ref-type="bibr" rid="b18">18</xref>
</sup>
of the Linac Coherent Light Source (LCLS) hard X-ray laser<sup><xref ref-type="bibr" rid="b1">1</xref>
</sup>
, using the CAMP<sup><xref ref-type="bibr" rid="b19">19</xref>
</sup>
instrument<sup><xref ref-type="bibr" rid="b20">20</xref>
,<xref ref-type="bibr" rid="b21">21</xref>
</sup>
. The experiment was part of an experiment running from June 17 to June 21 of 2010 with proposal number L150. Diffraction data were recorded on a pair of pnCCD detectors<sup><xref ref-type="bibr" rid="b19">19</xref>
</sup>
at a repetition rate of 60 Hz matching the repetition rate of LCLS. The two detectors were placed at a distance of 740 mm from the interaction region with a gap between them of 2.1 mm to let the direct beam through. The pixel size is 75 μm and each detector in the pair has 512×1,024 pixels giving the full setup a pixel count of 1,024×1,024 pixels.</p>
<p>The photon energy was 1.2 keV corresponding to a wavelength of 1.03 nm. At this wavelength the full-period resolution at the edge of the detector is 19.9 nm. The electron bunch used to create the X-ray pulse was 70 fs long (full duration at half maximum) and the X-ray pulse is believed to be shorter than this<sup><xref ref-type="bibr" rid="b22">22</xref>
</sup>
. The focus was ~10 μm (full width at half maximum) at the interaction point, giving a power density of ~3.4 10<sup>15</sup>
W cm<sup>−2</sup>
or 10<sup>12</sup>
photons per pulse.</p>
<p>The experiment was performed at a pressure of 10<sup>−6</sup>
mbar to reduce background scattering. Some of the most important experiment parameters are summarized in <xref ref-type="table" rid="t1">Table 1</xref>
.</p>
</sec>
<sec disp-level="2"><title>On-line data analysis</title>
<p>On-line hit-identification provided real-time statistics that guided injector alignment and tuning. Hits with a high scattering strength were identified by counting the number of pixels that measured a value above a threshold. Diffraction patterns with more than 500 pixels with a value above 170 ADU were defined as a hit. See ref. <xref ref-type="bibr" rid="b21">21</xref>
for a detailed description.</p>
</sec>
</sec>
<sec disp-level="1"><title>Data Records</title>
<p>Two datasets are provided: the full record of all collected data and a smaller preprocessed dataset. Both data sets are available in the same CXIDB entry (Data Citation 1).</p>
<sec disp-level="2"><title>Full data record</title>
<p>We provide all data collected from the Mimivirus at this beamtime before any preprocessing or sorting. This dataset is in the extended tagged container (XTC) file format. This can be converted to HDF5 format using programs such as CASS<sup><xref ref-type="bibr" rid="b23">23</xref>
</sup>
or Cheetah<sup><xref ref-type="bibr" rid="b24">24</xref>
</sup>
. This conversion normally also involves preprocessing and the data is therefore provided in the untouched XTC format.</p>
<p>The record contains 19 LCLS runs. 14 of these had the sample injector and X-ray laser turned on while the remaining 5 runs only collected detector background noise. These so called ‘dark runs’ can be used for to better subtract the background from the actual data. <xref ref-type="table" rid="t2">Table 2</xref>
shows a list of all 19 runs.</p>
<p>Initial hit finding showed that 0.3% of the frames contained diffraction that was stronger than the background. The rest were misses, i.e., frames that were read out when the pulse did not hit any particle. In addition to hits from single Mimivirus particles the hits also include droplets of buffer, clusters of viruses and a few particles that were injected earlier and had stayed in the injection system.</p>
</sec>
<sec disp-level="2"><title>Preprocessed and filtered data</title>
<p>This dataset contains the 198 preprocessed (see ref. <xref ref-type="bibr" rid="b19">19</xref>
) diffraction patterns that were used in ref. <xref ref-type="bibr" rid="b10">10</xref>
to recover the 3D structure of the Mimivirus particle. This data is in the CXIDB format described in ref. <xref ref-type="bibr" rid="b25">25</xref>
. The pixel values in the data are in arbitrary detector units (ADU). The conversion factor from ADU to number of photons is 7 ADU per photon. Some areas of the detector were unreadable and some scattering angles were not covered by the detector, such as the gap between the two detector halves that lets the direct beam through. These areas are identified by a <italic>mask</italic>
entry in the CXIDB file format.</p>
<p>The data was filtered in three steps. (1) Hits were distinguished from blanks using methods described in refs <xref ref-type="bibr" rid="b21">21</xref>
and <xref ref-type="bibr" rid="b24">24</xref>
. This yielded 1,600 hits. (2) 307 Diffraction patterns that correspond to a Mimivirus particle were selected by hand. An icosahedral or pseudo-icosahedral particle will in most orientations yield a distinctive type of pattern showing six outwards-going streaks. This feature and particle size, determined from the fringe spacing, was used for this selection. (3) When the detector is exposed to high intensities, the intensity can spill over from a pixel to neighboring pixels. We start seeing these effects at intensities above 750 photons per pixel. In the final dataset, diffraction patterns suffering from this effect were filtered out, resulting in 198 unsaturated diffraction patterns. A subset of this dataset is shown in <xref ref-type="fig" rid="f1">Fig. 1</xref>
.</p>
</sec>
</sec>
<sec disp-level="1"><title>Technical Validation</title>
<sec disp-level="2"><title>3D reconstruction</title>
<p>The 198 diffraction patterns were successfully assembled in a 3D Fourier volume and subsequent phase retrieval provided the full 3D electron density of the virus with a full-period resolution of 125 nm<sup><xref ref-type="bibr" rid="b10">10</xref>
</sup>
. This indicates that the Mimivirus is reproducible to at least this resolution.</p>
</sec>
<sec disp-level="2"><title>Validation of the 3D reconstruction</title>
<p>In cryo-electron microscopy (cryo-EM), data is routinely split prior to analysis and the analysis is performed in parallel on the two sets<sup><xref ref-type="bibr" rid="b26">26</xref>
</sup>
. Our first method for validating the 3D reconstruction is an adaptation of this technique. The diffraction patterns are randomly split in two sets of equal size. The recovery of the 3D alignment is performed independently on the two sets using the same parameters but independent random starting points. Phase retrieval is also performed independently using the same parameters. The standard practice in the field is to repeat the reconstruction at least 100 times and the results are then averaged to average out effects of the random starting point<sup><xref ref-type="bibr" rid="b4">4</xref>
,<xref ref-type="bibr" rid="b27">27</xref>
</sup>
.</p>
<p>The EMC algorithm recovers the relative orientation of the particles from the diffracted data alone but the arbitrary rotation of the entire system can be different comparing the two resulting 3D electron density maps. In order to compare the two recovered electron densities we therefore have to rotate one of the two data sets to best match the other. This is done using brute force by interpolating one of the maps at a regular array corresponding to the tested rotation. To compare the two maps, the Pearson correlation coefficient is calculated. The rotation with the highest Pearson correlation is assumed to correspond to the proper relative orientation.</p>
<p>The two aligned electron density maps are then compared using the Fourier shell correlation (FSC)<sup><xref ref-type="bibr" rid="b26">26</xref>
</sup>
, which provides a measure of the similarity as a function of resolution. The threshold for what is regarded as an acceptable fit ranges between 0.14 and 0.5 in cryo-EM literature<sup><xref ref-type="bibr" rid="b28">28</xref>
,<xref ref-type="bibr" rid="b29">29</xref>
</sup>
.</p>
<p>In X-ray crystallography some Bragg spots are usually excluded from the analysis and instead that information is used to verify the recovered expected strength of the respective Bragg spot<sup><xref ref-type="bibr" rid="b30">30</xref>
</sup>
. Using the same idea, 10% of the diffraction patterns were selected to be used for validation only. In the EMC scheme these patterns are excluded from the analysis but are still compared to the recovered Fourier transform of the particle. The measure for determining whether the recovered model agrees with the excluded diffraction patterns is the likelihood function used internally in EMC.</p>
<p>The analogy with the R<sub>free</sub>
value in crystallography should not be over emphasized. Bragg peaks are linearly independent parameters and ther is no suitable analogy in the continuous diffraction case. Furthermore, in the case described here, the process that is validated is that of pattern alignment and not phase retrieval. It is therefore natural to choose individual diffraction patterns as the information unit to exclude rather than i.e., individual pixels or regions of pixels.</p>
<p>These validation methods were previously described in ref. <xref ref-type="bibr" rid="b10">10</xref>
.</p>
</sec>
</sec>
<sec disp-level="1"><title>Usage Notes</title>
<p>Data was stored in the CXIDB<sup><xref ref-type="bibr" rid="b25">25</xref>
</sup>
data format which uses the HDF5 format. HDF5 files are readable in many computing environments including python using the h5py module and MATLAB using e.g., the h5read function. Convenient functions for accessing the CXIDB data file exist in the libspimage package for C and python<sup><xref ref-type="bibr" rid="b31">31</xref>
</sup>
. For visualizing data the CXIDB file browser Owl (<ext-link ext-link-type="uri" xlink:href="https://github.com/FilipeMaia/owl">https://github.com/FilipeMaia/owl</ext-link>
) is recommended.</p>
</sec>
<sec disp-level="1"><title>Additional Information</title>
<p><bold>How to cite this article:</bold>
Ekeberg, T <italic>et al.</italic>
Single-shot diffraction data from the Mimivirus particle using an X-ray free-electron laser. <italic>Sci. Data</italic>
3:160060 doi: 10.1038/sdata.2016.60 (2016).</p>
</sec>
<sec sec-type="supplementary-material" id="S1"><title>Supplementary Material</title>
<supplementary-material id="d33e260" content-type="local-data"><media xlink:href="sdata201660-isa1.zip"></media>
</supplementary-material>
</sec>
</body>
<back><ref-list content-type="data-citations"><title>Data Citations</title>
<ref id="d1"><mixed-citation publication-type="data"><source>Coherent X-ray Imaging Data Bank</source>
<name><surname>Ekeberg</surname>
<given-names>T</given-names>
</name>
<year>2015</year>
<ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.11577/1236752">http://dx.doi.org/10.11577/1236752</ext-link>
</mixed-citation>
</ref>
</ref-list>
<ack><p>This work was supported by the Swedish Research Council, the Knut and Alice Wallenberg Foundation, the Max Planck Society, the European Research Council, the Röntgen-Ångström Cluster, and Stiftelsen Olle Engkvist Byggmästare. Portions of this research were carried out at the Linac Coherent Light Source, a national user facility operated by Stanford University on behalf of the US Department of Energy, Office of Basic Energy Sciences. We are grateful to the scientific and technical staff of the LCLS for support.</p>
</ack>
<ref-list><ref id="b1"><mixed-citation publication-type="journal"><name><surname>Emma</surname>
<given-names>P.</given-names>
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</back>
<floats-group><fig id="f1"><label>Figure 1</label>
<caption><title>The first 24 of the 198 diffraction patterns in this dataset.</title>
<p>The color scale is logarithmic and ranges from 1 to 820 photons per pixel. This is a modification of a figure previously presented in ref. <xref ref-type="bibr" rid="b10">10</xref>
.</p>
</caption>
<graphic xlink:href="sdata201660-f1"></graphic>
</fig>
<table-wrap position="float" id="t1"><label>Table 1</label>
<caption><title>Summary of experimental parameters.</title>
</caption>
<table frame="hsides" rules="groups" border="1"><colgroup><col align="left"></col>
<col align="left"></col>
</colgroup>
<thead valign="bottom"><tr><th align="left" valign="top" charoff="50"><bold>Parameter</bold>
</th>
<th align="left" valign="top" charoff="50"><bold>Value</bold>
</th>
</tr>
</thead>
<tbody valign="top"><tr><td align="left" valign="top" charoff="50">Photon energy</td>
<td align="left" valign="top" charoff="50">1,200 keV</td>
</tr>
<tr><td align="left" valign="top" charoff="50">Detector distance</td>
<td align="left" valign="top" charoff="50">0.74 m</td>
</tr>
<tr><td align="left" valign="top" charoff="50">Pixel size</td>
<td align="left" valign="top" charoff="50">75 μm</td>
</tr>
<tr><td align="left" valign="top" charoff="50">Number of pixels</td>
<td align="left" valign="top" charoff="50">1,024×1,024</td>
</tr>
<tr><td align="left" valign="top" charoff="50">Focal size</td>
<td align="left" valign="top" charoff="50">10 μm<sup>2</sup>
</td>
</tr>
</tbody>
</table>
</table-wrap>
<table-wrap position="float" id="t2"><label>Table 2</label>
<caption><title>List of experimental runs.</title>
</caption>
<table frame="hsides" rules="groups" border="1"><colgroup><col align="left"></col>
<col align="left"></col>
<col align="center"></col>
<col align="center"></col>
</colgroup>
<thead valign="bottom"><tr><th align="left" valign="top" charoff="50"><bold>Run number</bold>
</th>
<th align="left" valign="top" charoff="50"><bold>Sample</bold>
</th>
<th align="center" valign="top" charoff="50"><bold>Number of frames</bold>
</th>
<th align="center" valign="top" charoff="50"><bold>Number of frames selected for analysis in ref. <xref ref-type="bibr" rid="b10">10</xref>
</bold>
</th>
</tr>
</thead>
<tfoot valign="top"><tr><th align="left" valign="top" charoff="50">Runs labeled as dark had the X-ray beam turned off and are included to allow for detector calibration. The lack of good hits before run 90 was possibly fixed by a changed injection nozzle at this point.</th>
<td> </td>
<td> </td>
<td> </td>
</tr>
</tfoot>
<tbody valign="top"><tr><td align="left" valign="top" charoff="50">73</td>
<td align="left" valign="top" charoff="50">Dark</td>
<td align="center" valign="top" charoff="50">651</td>
<td align="center" valign="top" charoff="50">N/A</td>
</tr>
<tr><td align="left" valign="top" charoff="50">80</td>
<td align="left" valign="top" charoff="50">Mimivirus</td>
<td align="center" valign="top" charoff="50">14,273</td>
<td align="center" valign="top" charoff="50">0</td>
</tr>
<tr><td align="left" valign="top" charoff="50">81</td>
<td align="left" valign="top" charoff="50">Mimivirus</td>
<td align="center" valign="top" charoff="50">14,450</td>
<td align="center" valign="top" charoff="50">0</td>
</tr>
<tr><td align="left" valign="top" charoff="50">82</td>
<td align="left" valign="top" charoff="50">Mimivirus</td>
<td align="center" valign="top" charoff="50">11,371</td>
<td align="center" valign="top" charoff="50">0</td>
</tr>
<tr><td align="left" valign="top" charoff="50">83</td>
<td align="left" valign="top" charoff="50">Dark</td>
<td align="center" valign="top" charoff="50">15,636</td>
<td align="center" valign="top" charoff="50">N/A</td>
</tr>
<tr><td align="left" valign="top" charoff="50">84</td>
<td align="left" valign="top" charoff="50">Mimivirus</td>
<td align="center" valign="top" charoff="50">65,594</td>
<td align="center" valign="top" charoff="50">0</td>
</tr>
<tr><td align="left" valign="top" charoff="50">87</td>
<td align="left" valign="top" charoff="50">Mimivirus</td>
<td align="center" valign="top" charoff="50">93,840</td>
<td align="center" valign="top" charoff="50">0</td>
</tr>
<tr><td align="left" valign="top" charoff="50">89</td>
<td align="left" valign="top" charoff="50">Dark</td>
<td align="center" valign="top" charoff="50">3,821</td>
<td align="center" valign="top" charoff="50">N/A</td>
</tr>
<tr><td align="left" valign="top" charoff="50">90</td>
<td align="left" valign="top" charoff="50">Mimivirus</td>
<td align="center" valign="top" charoff="50">77,644</td>
<td align="center" valign="top" charoff="50">30</td>
</tr>
<tr><td align="left" valign="top" charoff="50">91</td>
<td align="left" valign="top" charoff="50">Mimivirus</td>
<td align="center" valign="top" charoff="50">4,943</td>
<td align="center" valign="top" charoff="50">6</td>
</tr>
<tr><td align="left" valign="top" charoff="50">92</td>
<td align="left" valign="top" charoff="50">Mimivirus</td>
<td align="center" valign="top" charoff="50">33,721</td>
<td align="center" valign="top" charoff="50">39</td>
</tr>
<tr><td align="left" valign="top" charoff="50">93</td>
<td align="left" valign="top" charoff="50">Mimivirus</td>
<td align="center" valign="top" charoff="50">43,679</td>
<td align="center" valign="top" charoff="50">24</td>
</tr>
<tr><td align="left" valign="top" charoff="50">94</td>
<td align="left" valign="top" charoff="50">Mimivirus</td>
<td align="center" valign="top" charoff="50">58,931</td>
<td align="center" valign="top" charoff="50">40</td>
</tr>
<tr><td align="left" valign="top" charoff="50">95</td>
<td align="left" valign="top" charoff="50">Mimivirus</td>
<td align="center" valign="top" charoff="50">42,083</td>
<td align="center" valign="top" charoff="50">10</td>
</tr>
<tr><td align="left" valign="top" charoff="50">97</td>
<td align="left" valign="top" charoff="50">Mimivirus</td>
<td align="center" valign="top" charoff="50">36,899</td>
<td align="center" valign="top" charoff="50">33</td>
</tr>
<tr><td align="left" valign="top" charoff="50">98</td>
<td align="left" valign="top" charoff="50">Dark</td>
<td align="center" valign="top" charoff="50">7,794</td>
<td align="center" valign="top" charoff="50">N/A</td>
</tr>
<tr><td align="left" valign="top" charoff="50">152</td>
<td align="left" valign="top" charoff="50">Dark</td>
<td align="center" valign="top" charoff="50">2,498</td>
<td align="center" valign="top" charoff="50">N/A</td>
</tr>
<tr><td align="left" valign="top" charoff="50">156</td>
<td align="left" valign="top" charoff="50">Mimivirus</td>
<td align="center" valign="top" charoff="50">64,977</td>
<td align="center" valign="top" charoff="50">3</td>
</tr>
<tr><td align="left" valign="top" charoff="50">157</td>
<td align="left" valign="top" charoff="50">Mimivirus</td>
<td align="center" valign="top" charoff="50">90,403</td>
<td align="center" valign="top" charoff="50">13</td>
</tr>
</tbody>
</table>
</table-wrap>
</floats-group>
</pmc>
</record>
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