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Analysis of multicrystal pump–probe data sets. II. Scaling of ratio data sets

Analysis of multicrystal pump–probe data sets. II. Scaling of ratio data sets Two methods for scaling of multicrystal data collected in time‐resolved photocrystallography experiments are discussed. The WLS method is based on a weighted least‐squares refinement of laser‐ON/laser‐OFF intensity ratios. The other, previously applied, is based on the average absolute system response to light exposure. A more advanced application of these methods for scaling within a data set, necessary because of frequent anisotropy of light absorption in crystalline samples, is proposed. The methods are applied to recently collected synchrotron data on the tetra‐nuclear compound Ag2Cu2L4 with L = 2‐diphenylphosphino‐3‐methylindole. A statistical analysis of the weighted least‐squares refinement residual terms is performed to test the importance of the scaling procedure. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A Foundations of Crystallography Wiley

Analysis of multicrystal pump–probe data sets. II. Scaling of ratio data sets

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References (19)

Publisher
Wiley
Copyright
Copyright © 2016 Wiley Subscription Services, Inc., A Wiley Company
ISSN
0108-7673
eISSN
1600-5724
DOI
10.1107/S2053273315024055
pmid
26919377
Publisher site
See Article on Publisher Site

Abstract

Two methods for scaling of multicrystal data collected in time‐resolved photocrystallography experiments are discussed. The WLS method is based on a weighted least‐squares refinement of laser‐ON/laser‐OFF intensity ratios. The other, previously applied, is based on the average absolute system response to light exposure. A more advanced application of these methods for scaling within a data set, necessary because of frequent anisotropy of light absorption in crystalline samples, is proposed. The methods are applied to recently collected synchrotron data on the tetra‐nuclear compound Ag2Cu2L4 with L = 2‐diphenylphosphino‐3‐methylindole. A statistical analysis of the weighted least‐squares refinement residual terms is performed to test the importance of the scaling procedure.

Journal

Acta Crystallographica Section A Foundations of CrystallographyWiley

Published: Mar 1, 2016

Keywords: ; ; ; ;

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