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 displacement parameters is analyzed with both simulated and experimental data sets.