[phenixbb] sigma_iobs_rejection_criterion

Nathaniel Echols nechols at lbl.gov
Tue Jul 10 09:40:36 PDT 2012


On Tue, Jul 10, 2012 at 8:58 AM, Yarrow Madrona <amadrona at uci.edu> wrote:
> 1. Is this the same observed criterion that is reported in the RCSB
> Deposition?
>
> 2. To be honest I don't understand what this is. Is it a limit for the
> error in Iobs, below which the reflection will be discarded?
>
> 3. What is a reasonable setting for this input and how does it change the
> refinement?

To be honest, this was an incompatibility between the current code and
older parameter files that we hadn't anticipated.  In the context of
French & Wilson treatment, I believe the parameter basically filters
out excessively negative intensities.  I would probably leave this
alone - you can get the old parameter file to work again by resetting
it to None, which is the new default value.  The current nightly build
has been fixed to prevent it from stopping if it sees a value of 0
instead.

-Nat


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