Related Experiment Video
Updated: Mar 25, 2026

Structural Studies of Macromolecules in Solution using Small Angle X-Ray Scattering
Published on: November 5, 2018
Analysis of multicrystal pump-probe data sets. II. Scaling of ratio data sets
Bertrand Fournier1, Jesse Sokolow1, Philip Coppens1
1Chemistry Department, University at Buffalo, State University of New York, Buffalo, NY 14260-3000, USA.
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.

