Making crystallography better the anomalous way - towards routine application of experimental anomalous dispersion corrections

The aim of this project is to further explore and develop the possibilities of the new technique of refining experimentally obtained anomalous dispersion parameters in single crystal structure determinations. This method allows the oxidation state of metal atoms to be derived and provides precise information on the charge distribution of the compound in question. The ultimate goal of the LTP is to provide a stable and reliable method that can be applied to both synchrotron and home laboratory diffraction data by any scientist in the world, together with clear guidance on how to use it correctly and what limitations should be considered. The obtained values can be further used to improve the absorption coefficients of the compounds, which will be of great benefit for the absorption corrections of X-ray diffraction data and also for a better prediction of radiation damage in synchrotron experiments. Crystal shape anisotropy and polarisation effects will also be studied.