Extracting all information from X-ray diffraction data in crystallography

Loes Kroon-Batenburg (Eindhoven, 1956) was trained in crystallography in Utrecht, in the lab established bij Prof. M.J. Bijvoet. She did her PhD with Prof. A.F. Peerdeman, the successor of Bijvoet. Starting in hydrogen bond interactions and crystal structures of carbohydrates, she worked on fibre diffraction and properties of cellulose, and then moved into data processing methods using ray tracing and first principles. The EVAL method can be applied to many types of crystals but is focussed particularly on crystals with various types of defects, like large (anisotropic) mosaicity, lattice distortions, pseudo-merohedral twinning, large absorption effects. 

EVAL software has been distributed widely in the crystallographic community. Loes' group is currently working on diffuse scattering from crystal structures both in chemical and protein crystallography. The cause for the diffuse scattering can be packing defects or internal dynamics in the crystal structures. With simulation and accurate data processing information is extracted on the structural variation that gives rise to the diffuse scattering.