title: Analysis of multicrystal pump-probe data sets. II. Scaling of ratio data sets.
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.
authors.affiliation: Chemistry Department, University at Buffalo, State University of New York, Buffalo, NY 14260-3000, USA.
authors.forename: Bertrand
authors.initials: B
authors.lastname: Fournier
authors.affiliation: Chemistry Department, University at Buffalo, State University of New York, Buffalo, NY 14260-3000, USA.
authors.forename: Jesse
authors.initials: J
authors.lastname: Sokolow
authors.affiliation: Chemistry Department, University at Buffalo, State University of New York, Buffalo, NY 14260-3000, USA.
authors.forename: Philip
authors.initials: P
authors.lastname: Coppens
mesh_terms: D016880:Anisotropy; D056831:Coordination Complexes / Q000032:analysis* / Q000737:chemistry; D018360:Crystallography, X-Ray / Q000379:methods*; D003625:Data Collection; D016018:Least-Squares Analysis; D012834:Silver / Q000737:chemistry*; D017356:Synchrotrons
chemical_list: D056831:Coordination Complexes; D012834:Silver
keywords: RATIO method; absorption anisotropy; data scaling; photocrystallography; residual analysis