On the scaling of multicrystal data sets collected at high-intensity X-ray and electron sources

Coppens, Philip; Fournier, Bertrand

doi:10.1063/1.4935526

Title: On the scaling of multicrystal data sets collected at high-intensity X-ray and electron sources

Journal Article · Wed Nov 11 00:00:00 EST 2015 · Structural Dynamics

DOI:https://doi.org/10.1063/1.4935526· OSTI ID:1323136

Coppens, Philip ^[1]; Fournier, Bertrand ^[2]

Univ. at Buffalo, State Univ. of New York, Buffalo, NY (United States)
Univ. at Buffalo, State Univ. of New York, Buffalo, NY (United States); Univ. de Lorraine, Vandoeuvre-les-Nancy Cedex (France)

Here, the need for data-scaling has become increasingly evident as time-resolved pump-probe photocrystallography is rapidly developing at high intensity X-ray sources. Several aspects of the scaling of data sets collected at synchrotrons, XFELs (X-ray Free Electron Lasers) and high-intensity pulsed electron sources are discussed. They include laser-ON/laser-OFF data scaling, inter- and intra-data set scaling. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: W-31-109-ENG-38

OSTI ID:: 1323136

Journal Information:: Structural Dynamics, Vol. 2, Issue 6; ISSN 2329-7778

Publisher:: American Crystallographic Association/AIPCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 3 works

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References (15)

On the assessment of time-resolved diffraction results Fournier, Bertrand; Coppens, Philip Acta Crystallographica Section A Foundations and Advances, Vol. 70, Issue a1 https://doi.org/10.1107/S2053273314092286	journal	August 2014
An alternative method of solving the layer scaling equations of Hamilton, Rollett and Sparks Fox, G. C.; Holmes, K. C. Acta Crystallographica, Vol. 20, Issue 6 https://doi.org/10.1107/S0365110X66002007	journal	November 1966
On the relative scaling of X-ray photographs Hamilton, W. C.; Rollett, J. S.; Sparks, R. A. Acta Crystallographica, Vol. 18, Issue 1 https://doi.org/10.1107/S0365110X65000233	journal	January 1965
Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers Hattne, Johan; Echols, Nathaniel; Tran, Rosalie Nature Methods, Vol. 11, Issue 5 https://doi.org/10.1038/nmeth.2887	journal	March 2014
Shedding Light on the Photochemistry of Coinage-Metal Phosphorescent Materials: A Time-Resolved Laue Diffraction Study of an Ag ^I –Cu ^I Tetranuclear Complex Jarzembska, Katarzyna N.; Kamiński, Radosław; Fournier, Bertrand Inorganic Chemistry, Vol. 53, Issue 19 https://doi.org/10.1021/ic501696y	journal	September 2014
Structure-factor analysis of femtosecond microdiffraction patterns from protein nanocrystals Kirian, Richard A.; White, Thomas A.; Holton, James M. Acta Crystallographica Section A Foundations of Crystallography, Vol. 67, Issue 2 https://doi.org/10.1107/S0108767310050981	journal	February 2011
Restricted Photochemistry in the Molecular Solid State: Structural Changes on Photoexcitation of Cu(I) Phenanthroline Metal-to-Ligand Charge Transfer (MLCT) Complexes by Time-Resolved Diffraction Makal, Anna; Benedict, Jason; Trzop, Elzbieta The Journal of Physical Chemistry A, Vol. 116, Issue 13 https://doi.org/10.1021/jp300313s	journal	March 2012
The development of Laue techniques for single-pulse diffraction of chemical complexes: time-resolved Laue diffraction on a binuclear rhodium metal-organic complex Makal, Anna; Trzop, Elzbieta; Sokolow, Jesse Acta Crystallographica Section A Foundations of Crystallography, Vol. 67, Issue 4 https://doi.org/10.1107/S0108767311011883	journal	May 2011
Fixed target matrix for femtosecond time-resolved and in situ serial micro-crystallography Mueller, C.; Marx, A.; Epp, S. W. Structural Dynamics, Vol. 2, Issue 5 https://doi.org/10.1063/1.4928706	journal	August 2015
Data scaling and temperature calibration in time-resolved photocrystallographic experiments Schmøkel, Mette S.; Kamiński, Radosław; Benedict, Jason B. Acta Crystallographica Section A Foundations of Crystallography, Vol. 66, Issue 6 https://doi.org/10.1107/S0108767310029429	journal	September 2010
X-ray lasers for structural and dynamic biology Spence, J. C. H.; Weierstall, U.; Chapman, H. N. Reports on Progress in Physics, Vol. 75, Issue 10 https://doi.org/10.1088/0034-4885/75/10/102601	journal	September 2012
LASER – a program for response-ratio refinement of time-resolved diffraction data Vorontsov, Ivan; Pillet, Sébastien; Kamiński, Radosław Journal of Applied Crystallography, Vol. 43, Issue 5 https://doi.org/10.1107/S0021889810029900	journal	August 2010
Single-crystal-to-single-crystal E → Z isomerization of tiglic acid in a supramolecular framework Zheng, Shao-Liang; Messerschmidt, Marc; Coppens, Philip Acta Crystallographica Section B Structural Science, Vol. 63, Issue 4 https://doi.org/10.1107/S0108768107018538	journal	July 2007
The RATIO method for time-resolved Laue crystallography Coppens, Philip; Pitak, Mateusz; Gembicky, Milan Journal of Synchrotron Radiation, Vol. 16, Issue 2 https://doi.org/10.1107/s0909049508040892	journal	January 2009
Analysis of multicrystal pump–probe data sets. I. Expressions for the RATIO model Fournier, Bertrand; Coppens, Philip Acta Crystallographica Section A Foundations and Advances, Vol. 70, Issue 5 https://doi.org/10.1107/s2053273314013229	journal	August 2014

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On the Nature of Luminescence Thermochromism of Multinuclear Copper(I) Benzoate Complexes in the Crystalline State Jarzembska, Katarzyna; Hapka, Michał; Kamiński, Radosław Crystals, Vol. 9, Issue 1 https://doi.org/10.3390/cryst9010036	journal	January 2019

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46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY
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Title: On the scaling of multicrystal data sets collected at high-intensity X-ray and electron sources

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