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

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

doi:10.1038/sdata.2018.201

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

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

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

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

Original language	English (US)
Article number	180201
Journal	Scientific Data
Volume	5
DOIs	https://doi.org/10.1038/sdata.2018.201
State	Published - 2018

ASJC Scopus subject areas

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

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10.1038/sdata.2018.201

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

Pande, K, Donatelli, JJ, Malmerberg, E, Foucar, L, Poon, BK, Sutter, M, Botha, S, Basu, S, Doak, RB, Dörner, K, Epp, SW, Englert, L, Fromme, R, Hartmann, E, Hartmann, R, Hauser, G, Hattne, J, Hosseinizadeh, A, Kassemeyer, S, Lomb, L, Carron Montero, SF, Menzel, A, Rolles, D, Rudenko, A, Seibert, MM, Sierra, RG, Schwander, P, Ourmazd, A, Fromme, P, Sauter, NK, Bogan, M, Bozek, J, Bostedt, C, Schlichting, I, Kerfeld, CA & Zwart, PH 2018, 'Free-electron laser data for multiple-particle fluctuation scattering analysis', Scientific Data, vol. 5, 180201. https://doi.org/10.1038/sdata.2018.201

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title = "Free-electron laser data for multiple-particle fluctuation scattering analysis",

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.",

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

note = "Publisher Copyright: {\textcopyright} The Author(s) 2018.",

year = "2018",

doi = "10.1038/sdata.2018.201",

language = "English (US)",

volume = "5",

journal = "Scientific Data",

issn = "2052-4463",

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T1 - Free-electron laser data for multiple-particle fluctuation scattering analysis

AU - Pande, Kanupriya

AU - Donatelli, Jeffrey J.

AU - Malmerberg, Erik

AU - Foucar, Lutz

AU - Poon, Billy K.

AU - Sutter, Markus

AU - Botha, Sabine

AU - Basu, Shibom

AU - Doak, R. Bruce

AU - Dörner, Katerina

AU - Epp, Sascha W.

AU - Englert, Lars

AU - Fromme, Raimund

AU - Hartmann, Elisabeth

AU - Hartmann, Robert

AU - Hauser, Guenter

AU - Hattne, Johan

AU - Hosseinizadeh, Ahmad

AU - Kassemeyer, Stephan

AU - Lomb, Lukas

AU - Carron Montero, Sebastian F.

AU - Menzel, Andreas

AU - Rolles, Daniel

AU - Rudenko, Artem

AU - Seibert, Marvin M.

AU - Sierra, Raymond George

AU - Schwander, Peter

AU - Ourmazd, Abbas

AU - Fromme, Petra

AU - Sauter, Nicholas K.

AU - Bogan, Michael

AU - Bozek, John

AU - Bostedt, Christoph

AU - Schlichting, Ilme

AU - Kerfeld, Cheryl A.

AU - Zwart, Petrus H.

PY - 2018

Y1 - 2018

N2 - 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.

AB - 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.

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JF - Scientific Data

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ER -

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

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