Using anomalous dispersion to accurately determine site disorder in single crystal structure analysis

In previous experiments, the method to refine the anomalous dispersion correctional terms used in small-molecule single-crystal XRD has been established. In this experiment we want to test the ability of the anomalous dispersion refinements (ADR) to quantify the occupancies of mixed positions. This approach would generate an entirely different method to obtain precise stoichiometry in difficult cases by using the anomalous signal of an element residing at a mixed position.