This came up on phnix BB recently:
On 10/20/2020 01:30 PM, John Berrisford wrote:
Dear Armando and Pavel
During the deposition process we compare two values
_reflns.number_obs
And
_refine.ls_number_reflns_obs
We expect the number of observed reflections to be higher (or the same) as
the
Thanks Jon,
> 23k used versus 31k Friedel pairs available
Actually this was a mistake on my part; I uploaded the wrong coordinates
and final mtz that don't correspond to this sca file. The correct
coordinates and mtz file that correspond to this sca file do contain 31k
reflections as well.
>
Hello,
so the structure was presumably refined with F(+) and F(-) treated as separate
observations. That's not a problem, but just interested if there was a
particular reason for that e.g. selenomet., etc. It seems it hasn't used all
the F(+)/(-) data for some reason (23k used versus 31k
This may be a basic question, but a few google searches did not turn up
anything helpful.
I am trying to deposit a structure, from data reduced with HKL2000 and
solved and refined with Phenix. The data were scaled with the Anomalous
option selected.
For depositing, I upload the coordinates, the
