While we're on the topic of FCF files...
The "Sampling Rate" parameter in the "Map Parameter" menu item
under "Edit" does not appear to have any affect on the calculation
of a map from an FCF file. It does work properly if I give Coot
an .mtz.
I much prefer a map with a sampling rate of 3 but can't get it
with an FCF.
Dale
Paul Emsley wrote:
> Dale Tronrud wrote:
>> Hi,
>>
>> I am refining a model in Shelxl and occasionally (and most
>> importantly,
>> today) get a .fcf file that is rendered in a fashion that I believe is
>> incorrect. When the problem occurs I get a difference map with negative
>> peaks centered on most of the atoms.
>
> Hi Dale,
>
> You were indeed correct - it was a scaling problem. Kevin Cowtan found
> and fixed the error I had made when using clipper's sigmaA code.
>
> Revisions 592+ will incorporate the correction.
>
> Regards,
>
> Paul.
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