skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Abstract

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.

Authors:
 [1];  [2]
  1. Univ. at Buffalo, State Univ. of New York, Buffalo, NY (United States)
  2. Univ. at Buffalo, State Univ. of New York, Buffalo, NY (United States); Univ. de Lorraine, Vandoeuvre-les-Nancy Cedex (France)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1323136
Grant/Contract Number:  
W-31-109-ENG-38
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Structural Dynamics
Additional Journal Information:
Journal Volume: 2; Journal Issue: 6; Journal ID: ISSN 2329-7778
Publisher:
American Crystallographic Association/AIP
Country of Publication:
United States
Language:
English
Subject:
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY; resolved laue diffraction; photochemistry; complexes; data sets; anisotropy; electron sources; X-ray lasers; free electron lasers

Citation Formats

Coppens, Philip, and Fournier, Bertrand. On the scaling of multicrystal data sets collected at high-intensity X-ray and electron sources. United States: N. p., 2015. Web. doi:10.1063/1.4935526.
Coppens, Philip, & Fournier, Bertrand. On the scaling of multicrystal data sets collected at high-intensity X-ray and electron sources. United States. doi:10.1063/1.4935526.
Coppens, Philip, and Fournier, Bertrand. Wed . "On the scaling of multicrystal data sets collected at high-intensity X-ray and electron sources". United States. doi:10.1063/1.4935526. https://www.osti.gov/servlets/purl/1323136.
@article{osti_1323136,
title = {On the scaling of multicrystal data sets collected at high-intensity X-ray and electron sources},
author = {Coppens, Philip and Fournier, Bertrand},
abstractNote = {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.},
doi = {10.1063/1.4935526},
journal = {Structural Dynamics},
issn = {2329-7778},
number = 6,
volume = 2,
place = {United States},
year = {2015},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Save / Share:

Works referenced in this record:

The RATIO method for time-resolved Laue crystallography
journal, January 2009

  • Coppens, Philip; Pitak, Mateusz; Gembicky, Milan
  • Journal of Synchrotron Radiation, Vol. 16, Issue 2
  • DOI: 10.1107/S0909049508040892

Analysis of multicrystal pump–probe data sets. I. Expressions for the RATIO model
journal, August 2014

  • Fournier, Bertrand; Coppens, Philip
  • Acta Crystallographica Section A Foundations and Advances, Vol. 70, Issue 5
  • DOI: 10.1107/S2053273314013229

On the assessment of time-resolved diffraction results
journal, August 2014

  • Fournier, Bertrand; Coppens, Philip
  • Acta Crystallographica Section A Foundations and Advances, Vol. 70, Issue a1
  • DOI: 10.1107/S2053273314092286

An alternative method of solving the layer scaling equations of Hamilton, Rollett and Sparks
journal, November 1966


On the relative scaling of X-ray photographs
journal, January 1965


Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers
journal, March 2014

  • Hattne, Johan; Echols, Nathaniel; Tran, Rosalie
  • Nature Methods, Vol. 11, Issue 5
  • DOI: 10.1038/nmeth.2887

Shedding Light on the Photochemistry of Coinage-Metal Phosphorescent Materials: A Time-Resolved Laue Diffraction Study of an Ag I –Cu I Tetranuclear Complex
journal, September 2014

  • Jarzembska, Katarzyna N.; Kamiński, Radosław; Fournier, Bertrand
  • Inorganic Chemistry, Vol. 53, Issue 19
  • DOI: 10.1021/ic501696y

Structure-factor analysis of femtosecond microdiffraction patterns from protein nanocrystals
journal, February 2011

  • Kirian, Richard A.; White, Thomas A.; Holton, James M.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 67, Issue 2
  • DOI: 10.1107/S0108767310050981

The development of Laue techniques for single-pulse diffraction of chemical complexes: time-resolved Laue diffraction on a binuclear rhodium metal-organic complex
journal, May 2011

  • Makal, Anna; Trzop, Elzbieta; Sokolow, Jesse
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 67, Issue 4
  • DOI: 10.1107/S0108767311011883

Fixed target matrix for femtosecond time-resolved and in situ serial micro-crystallography
journal, August 2015

  • Mueller, C.; Marx, A.; Epp, S. W.
  • Structural Dynamics, Vol. 2, Issue 5
  • DOI: 10.1063/1.4928706

Data scaling and temperature calibration in time-resolved photocrystallographic experiments
journal, September 2010

  • Schmøkel, Mette S.; Kamiński, Radosław; Benedict, Jason B.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 66, Issue 6
  • DOI: 10.1107/S0108767310029429

X-ray lasers for structural and dynamic biology
journal, September 2012


LASER – a program for response-ratio refinement of time-resolved diffraction data
journal, August 2010

  • Vorontsov, Ivan; Pillet, Sébastien; Kamiński, Radosław
  • Journal of Applied Crystallography, Vol. 43, Issue 5
  • DOI: 10.1107/S0021889810029900

Single-crystal-to-single-crystal EZ isomerization of tiglic acid in a supramolecular framework
journal, July 2007

  • Zheng, Shao-Liang; Messerschmidt, Marc; Coppens, Philip
  • Acta Crystallographica Section B Structural Science, Vol. 63, Issue 4
  • DOI: 10.1107/S0108768107018538

    Works referencing / citing this record:

    On the Nature of Luminescence Thermochromism of Multinuclear Copper(I) Benzoate Complexes in the Crystalline State
    journal, January 2019

    • Jarzembska, Katarzyna; Hapka, Michał; Kamiński, Radosław
    • Crystals, Vol. 9, Issue 1
    • DOI: 10.3390/cryst9010036