[phenixbb] phenix real space refine & free R reflections

Edward A. Berry BerryE at upstate.edu
Fri May 5 12:26:45 PDT 2017


On 05/05/2017 11:42 AM, Edward A. Berry wrote:
> But it would be good to clarify that "fill_missing_f_obs = True" also fills those reflections that are not missing but are excluded due to being flagged free.
Easy enough to check- it does.

exclude free:
     0  11  30     1720.10    340.80      1.00     41.02      4.15     39.46
                     61.42     32.29     54.27       ?         ?        0.38
                   -118.58
normal:
     0  11  30     1720.10    340.80      1.00     41.02      4.15     40.12
                     61.79     28.53     61.79     28.53     61.79      1.60
                   -118.21
Both with "fill_missing_f_obs = True"

0 11 30 is present reflection flagged free.
The two question marks are the no-fill coefficient.
The two values before them, which are present in both files but with different values,
    are the "filled".
(I guess everyone knew that except me)


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