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EUHEDRAL

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Scan day: 09 February 2014 UTC
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Description: Refinement of crystal shape against the intensities of multiple measured reflections coming from redundant area detector data for an analytical absorption correction. Needs the PLATON package.
In X-ray crystallography the analytical absorption correction based on an accurate crystal description is still the best absorption correction method. Unfortunately it can be difficult to measure the crystal size and to index the crystal faces. Several laboratories have therefore developed computer programs to refine the initial crystal description (e.g. the HABITUS program of W. Herrendorf). Our program EUHEDRAL was developed for the refinement of the crystal shape against the intensities of multiple measured reflections coming from redundant area detector data. The program was developed to provide the highest possible flexibility (refinement of crystal volume and face distances, rotation of the crystal with respect to the crystal axes, and tilting of individual faces). It is the decission of the program user, which methods should be applied for the individual crystal.
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