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Figure 4
The scheme of operations flow in PSC includes the initialization, linearization and solution-finding process. Also, many intermediate decisions are made to verify the inclusion of all reflections, reaching intersection regions, imposing an accuracy limit on the area/volume of intersection regions etc. At the end of the structure determination, detailed outputs including reflections and their polytopes, intermediate intersection results, found solutions, the volume of each polytope, and the error on computed zi are written in HDF-formatted files. |