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21 Jul
2012
21 Jul
'12
11:06 a.m.
But the resolution_factor is inconsistent - for the FFT structure factors calculation (which is unavoidable), we are definitely using 1/3 (I assume for speed reasons). For most of the other optional tasks like rotamer correction and filling missing F-obs, it's 1/4.
Yes, we use 1/3 for structure factors and gradients calculations, and 1/4 in map calculation if the map is going to be used for things like water picking, real-space refinement, etc. This is intentional. Pavel