Finding That Diamond in the Rough
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Performing live with single crystal X-ray diffraction instrumentation in Bruker AXS Madison's Applications Laboratory, Bruce Noll and Michael Ruf demonstrate routines for crystal screening and unit cell determination, then develop a strategy to best collect the intensity data by consideration of exposure time, resolution limit, and redundancy.
Starting with a Fast Scan, we collect a sphere of reflections for examining the crystal quality in reciprocal space and subsequent indexing. Following this examination, the strategy planner is used to provide an efficient set of runs that collect the unique reflections, as well as redundant data that is useful for scaling, absorption correction and intensity error model adjustment. In addition, we solve the structure using the data from the Fast Scan to provide a quick verification of the target structure.