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

Fluctuation X-ray scattering (FXS) is an emerging experimental technique in which solution scattering data are collected using X-ray exposures below rotational diffusion times, resulting in angularly anisotropic X-ray snapshots that provide several orders of magnitude more information than tradition...

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Veröffentlicht in:Scientific data 2018-10, Vol.5 (1), p.180201, Article 180201
Hauptverfasser: Pande, Kanupriya, Donatelli, Jeffrey J., Malmerberg, Erik, Foucar, Lutz, Poon, Billy K., Sutter, Markus, Botha, Sabine, Basu, Shibom, Bruce Doak, R., Dörner, Katerina, Epp, Sascha W., Englert, Lars, Fromme, Raimund, Hartmann, Elisabeth, Hartmann, Robert, Hauser, Guenter, Hattne, Johan, Hosseinizadeh, Ahmad, Kassemeyer, Stephan, Lomb, Lukas, Montero, Sebastian F. Carron, Menzel, Andreas, Rolles, Daniel, Rudenko, Artem, Seibert, Marvin M., Sierra, Raymond George, Schwander, Peter, Ourmazd, Abbas, Fromme, Petra, Sauter, Nicholas K., Bogan, Michael, Bozek, John, Bostedt, Christoph, Schlichting, Ilme, Kerfeld, Cheryl A., Zwart, Petrus H.
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container_title Scientific data
container_volume 5
creator Pande, Kanupriya
Donatelli, Jeffrey J.
Malmerberg, Erik
Foucar, Lutz
Poon, Billy K.
Sutter, Markus
Botha, Sabine
Basu, Shibom
Bruce Doak, R.
Dörner, Katerina
Epp, Sascha W.
Englert, Lars
Fromme, Raimund
Hartmann, Elisabeth
Hartmann, Robert
Hauser, Guenter
Hattne, Johan
Hosseinizadeh, Ahmad
Kassemeyer, Stephan
Lomb, Lukas
Montero, Sebastian F. Carron
Menzel, Andreas
Rolles, Daniel
Rudenko, Artem
Seibert, Marvin M.
Sierra, Raymond George
Schwander, Peter
Ourmazd, Abbas
Fromme, Petra
Sauter, Nicholas K.
Bogan, Michael
Bozek, John
Bostedt, Christoph
Schlichting, Ilme
Kerfeld, Cheryl A.
Zwart, Petrus H.
description Fluctuation X-ray scattering (FXS) is an emerging experimental technique in which solution scattering data are collected using X-ray exposures below rotational diffusion times, resulting in angularly anisotropic X-ray snapshots that provide several orders of magnitude more information than traditional solution scattering data. Such experiments can be performed using the ultrashort X-ray pulses provided by a free-electron laser source, allowing one to collect a large number of diffraction patterns in a relatively short time. Here, we describe a test data set for FXS, obtained at the Linac Coherent Light Source, consisting of close to 100 000 multi-particle diffraction patterns originating from approximately 50 to 200 Paramecium Bursaria Chlorella virus particles per snapshot. In addition to the raw data, a selection of high-quality pre-processed diffraction patterns and a reference SAXS profile are provided. Design Type(s) virus particle imaging objective Measurement Type(s) X-ray diffraction data Technology Type(s) X-ray free electron laser Factor Type(s) Sample Characteristic(s) Paramecium bursaria Chlorella virus 1 Machine-accessible metadata file describing the reported data (ISA-Tab format)
doi_str_mv 10.1038/sdata.2018.201
format Article
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Carron ; Menzel, Andreas ; Rolles, Daniel ; Rudenko, Artem ; Seibert, Marvin M. ; Sierra, Raymond George ; Schwander, Peter ; Ourmazd, Abbas ; Fromme, Petra ; Sauter, Nicholas K. ; Bogan, Michael ; Bozek, John ; Bostedt, Christoph ; Schlichting, Ilme ; Kerfeld, Cheryl A. ; Zwart, Petrus H.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c4661-d7ad29a476606b61eb327b02da0f632719d85c1465928c902e09900c3eee22393</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><topic>631/535/1261</topic><topic>631/57/2266</topic><topic>CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS</topic><topic>Data Descriptor</topic><topic>Diffraction</topic><topic>Humanities and Social Sciences</topic><topic>multidisciplinary</topic><topic>Phycodnaviridae</topic><topic>Rotational diffusion</topic><topic>Scattering, Small Angle</topic><topic>Science</topic><topic>X-Ray Diffraction</topic><topic>X-ray scattering</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Pande, Kanupriya</creatorcontrib><creatorcontrib>Donatelli, Jeffrey J.</creatorcontrib><creatorcontrib>Malmerberg, Erik</creatorcontrib><creatorcontrib>Foucar, Lutz</creatorcontrib><creatorcontrib>Poon, Billy K.</creatorcontrib><creatorcontrib>Sutter, Markus</creatorcontrib><creatorcontrib>Botha, Sabine</creatorcontrib><creatorcontrib>Basu, Shibom</creatorcontrib><creatorcontrib>Bruce Doak, R.</creatorcontrib><creatorcontrib>Dörner, Katerina</creatorcontrib><creatorcontrib>Epp, Sascha W.</creatorcontrib><creatorcontrib>Englert, Lars</creatorcontrib><creatorcontrib>Fromme, Raimund</creatorcontrib><creatorcontrib>Hartmann, Elisabeth</creatorcontrib><creatorcontrib>Hartmann, Robert</creatorcontrib><creatorcontrib>Hauser, Guenter</creatorcontrib><creatorcontrib>Hattne, Johan</creatorcontrib><creatorcontrib>Hosseinizadeh, Ahmad</creatorcontrib><creatorcontrib>Kassemeyer, Stephan</creatorcontrib><creatorcontrib>Lomb, Lukas</creatorcontrib><creatorcontrib>Montero, Sebastian F. 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Carron</au><au>Menzel, Andreas</au><au>Rolles, Daniel</au><au>Rudenko, Artem</au><au>Seibert, Marvin M.</au><au>Sierra, Raymond George</au><au>Schwander, Peter</au><au>Ourmazd, Abbas</au><au>Fromme, Petra</au><au>Sauter, Nicholas K.</au><au>Bogan, Michael</au><au>Bozek, John</au><au>Bostedt, Christoph</au><au>Schlichting, Ilme</au><au>Kerfeld, Cheryl A.</au><au>Zwart, Petrus H.</au><aucorp>SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)</aucorp><aucorp>Univ. of Wisconsin, Milwaukee, WI (United States)</aucorp><aucorp>Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Free-electron laser data for multiple-particle fluctuation scattering analysis</atitle><jtitle>Scientific data</jtitle><stitle>Sci Data</stitle><addtitle>Sci Data</addtitle><date>2018-10-02</date><risdate>2018</risdate><volume>5</volume><issue>1</issue><spage>180201</spage><pages>180201-</pages><artnum>180201</artnum><issn>2052-4463</issn><eissn>2052-4463</eissn><abstract>Fluctuation X-ray scattering (FXS) is an emerging experimental technique in which solution scattering data are collected using X-ray exposures below rotational diffusion times, resulting in angularly anisotropic X-ray snapshots that provide several orders of magnitude more information than traditional solution scattering data. Such experiments can be performed using the ultrashort X-ray pulses provided by a free-electron laser source, allowing one to collect a large number of diffraction patterns in a relatively short time. Here, we describe a test data set for FXS, obtained at the Linac Coherent Light Source, consisting of close to 100 000 multi-particle diffraction patterns originating from approximately 50 to 200 Paramecium Bursaria Chlorella virus particles per snapshot. In addition to the raw data, a selection of high-quality pre-processed diffraction patterns and a reference SAXS profile are provided. Design Type(s) virus particle imaging objective Measurement Type(s) X-ray diffraction data Technology Type(s) X-ray free electron laser Factor Type(s) Sample Characteristic(s) Paramecium bursaria Chlorella virus 1 Machine-accessible metadata file describing the reported data (ISA-Tab format)</abstract><cop>London</cop><pub>Nature Publishing Group UK</pub><pmid>30277481</pmid><doi>10.1038/sdata.2018.201</doi><orcidid>https://orcid.org/0000-0002-0936-7496</orcidid><orcidid>https://orcid.org/0000-0002-0489-609X</orcidid><orcidid>https://orcid.org/0000-0001-9946-3889</orcidid><orcidid>https://orcid.org/0000-0002-8936-0912</orcidid><orcidid>https://orcid.org/0000-0001-6290-4820</orcidid><orcidid>https://orcid.org/0000000199463889</orcidid><orcidid>https://orcid.org/0000000162904820</orcidid><orcidid>https://orcid.org/0000000209367496</orcidid><orcidid>https://orcid.org/0000000289360912</orcidid><orcidid>https://orcid.org/000000020489609X</orcidid><oa>free_for_read</oa></addata></record>
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subjects 631/535/1261
631/57/2266
CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Data Descriptor
Diffraction
Humanities and Social Sciences
multidisciplinary
Phycodnaviridae
Rotational diffusion
Scattering, Small Angle
Science
X-Ray Diffraction
X-ray scattering
title Free-electron laser data for multiple-particle fluctuation scattering analysis
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