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a crystal of lower quality can be accepted if only a connectivity structure is needed but the requirements are more strict when a fully publishable result is required. The number of parameters considered in determining “rank” can be large. Algorithms may include the following parameters: resolution limits, I/σ(I), spot sharpness, indexing quality, refinement quality, mosaicity, ice-ring detection, and others. The success of the experiment can be bolstered by the amount of information provided to the system, but a truly automatic system should be able to provide the necessary results with little or no human intervention. The ability to screen large numbers of crystals also allows tests for polymorphism, autoresolution of enantiomers, phase transformations, etc.

Rapid synchrotron X-ray crystallography for drug discovery using the SGX-CAT beamline at the APS