[phenixbb] MR-SAD, Yb, combined phases

Pavel Afonine pafonine at lbl.gov
Thu Dec 19 14:55:34 PST 2013

Hi Joe,

> Second, when I do refine using the MLHL target function, I am finding quite a bit of excess positive density around the Yb sites. How do I try and account for this? I have attempted to take care of it with ADP and occupancy refinement but that doesn't seem to be enough. The resolution is 2.2 A and the anomalous signal is quite good (alas that is why I am also seeing the sulfurs clearly in the anomalous difference map).

see pages 8-14 here:


Please let me know if it doesn't help!


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