[phenixbb] R free assignment in thin shells

mohamed noor mohamed.noor34 at gmail.com
Wed Jun 3 16:18:08 PDT 2015

Dear all

I found a not-so-old thread about this topic:
http://phenix-online.org/pipermail/phenixbb/2012-January/018259.html. Maybe
there has been significant changes in phenix.refine since then.

However, I couldn't find a conclusion. In my case, my data extends to 1.4 A
with the R/R free being around 23/26 %. There is also pseudo symmetry, so
there are 16 NCS copies in a lower symmetry group than what Xtriage
suggested. The map looks fine with density for some H atoms even being

On what basis should I decide whether to use (or not) thin shell
assignment? And what is the cut-off for number of NCS copies?

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