The course language is German.
21–25 September 2026, Freckenhorst (between Münster and Bielefeld)
The course is primarily aimed at young scientists (doctoral students, M.Sc.). Its objective is to provide insights into the underlying theories of diffractometry, structure determination and refinement, as this knowledge is (still, increasingly) necessary to recognise and avoid the ubiquitous pitfalls of today’s ‘black-box’ methods. Participants should therefore already have some experience with structure analysis in order to benefit fully from this course. A basic understanding of crystallographic symmetry is a great advantage for active participation in the exercises.
In addition to lectures given by the lecturers, the main focus of the course is on working through the material in small tutorial groups under the guidance of experienced crystallographers.
- Diffractometry: crystal selection, mounting, growth, reflection search, indexing, orientation matrix, lattice constants, measurement parameters
- Integration: area indexing, data reduction, absorption correction
- Structure factors, symmetry: intensity symmetry of diffraction patterns, systematic cancellations, International Tables, group/subgroup relationships, space group determination, E values, anomalous dispersion, E value statistics
- Structure solution: Fourier transforms, Patterson, direct methods, origin fixing, problem cases
- Structure refinement: least squares method, statistics, standard deviation, disorder, twins, anisotropic deflection parameters, absolute configuration, restraints, constraints, hydrogen atoms
- Data interpretation: validation, chemical plausibility, misinterpretations
Organisation and lecturers:
Michael Bolte (Goethe-Universität Frankfurt a. M., i. R.)
Maximilian Hützler (ehemals Goethe-Universität Frankfurt a. M.)
Christian Kleeberg (TU Braunschweig, Organisation)
Martin Nieger (University of Helsinki)
Roland Schoch (Universität Paderborn)
Dieter Schollmeyer (Johannes Gutenberg-Universität Mainz)
Anja Wiesner (Freie Universität Berlin)
Christoph Wölper (Universität Duisburg Essen)