On the refinement of time-resolved diffraction data: comparison of the random-distribution and cluster-formation models and analysis of the light-induced increase in the atomic displacement parameters

Expressions for the random‐distribution and cluster‐formation models for light‐induced changes in crystals studied by time‐resolved diffraction are presented. The two models can be distinguished on the basis of differences in the predicted intensities. The light‐induced increase in the atomic displa...

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Bibliographic Details
Published in:Journal of synchrotron radiation 2005-07, Vol.12 (4), p.488-493
Main Authors: Vorontsov, Ivan I., Coppens, Philip
Format: Article
Language:English
Subjects:
Algorithms
Cluster Analysis
cluster-formation model
Computer Simulation
Crystallization - methods
Light
Models, Chemical
Models, Molecular
Models, Statistical
Molecular Conformation
Photochemistry - methods
pump-probe technique
Quantum Theory
random-distribution model
Time Factors
time-resolved diffraction
X-Ray Diffraction - methods
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Summary:Expressions for the random‐distribution and cluster‐formation models for light‐induced changes in crystals studied by time‐resolved diffraction are presented. The two models can be distinguished on the basis of differences in the predicted intensities. The light‐induced increase in the atomic displacement parameters is analyzed with both simulated and experimental data sets.
ISSN:1600-5775
0909-0495
1600-5775
DOI:10.1107/S0909049505014561