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SS22 WS22 SS23 WS23 SS24 WS24 Guidelines for Master Students
Indexing of GIXD-Patterns Increasing interest in organic molecules drives the search for new polymorphs and quantitative structural characterization by X-ray diffraction experiments. Grazing Incidence X-ray Diffraction (GIXD) has proven to be one reliable diffraction technique to identify possible unit cell parameters, thereby helping to determine crystal structure solutions. In the present work, possible unit cell parameter solutions are calculated by systematical permutation of Laue indices and their assignment to diffraction peaks. The solutions are then evaluated by their mean deviation in reciprocal space vectors. The so obtained numerical solutions are classified and evaluated by basic crystallographic conventions. The aim of this master thesis is to offer a holistic software package for indexing and evaluation of unit cell parameters for Grazing Incidence X-ray Diffraction patterns. |