[sharp-discuss] problem with pkmaps

[Clemens Vonrhein]

Dear Yuliya,

from the LISTautoSHARP.html it is not quite clear, what the problem in
PKMAPS is. Can you also post or check the RESID/LISTautoSHARP.html -
i.e. the file the ERROR message links to?

Have you followed the warning messages

>      3.1 Analysis of merged data
>
>       [22](details)    [23](explanation)    (28 seconds)
>
>                 2 warnings :
>      * [24]serious differences between datasets
>      * [25]very high R-factor(s) in low-resolution bin (nat-der1)

to see what the reason is? My first guess would be some problems in
the beamstop masking during integration. Or some problems with
overloaded reflections or ... But most likely something that should be
correctable during data processing (i.e. before going into
autoSHARP). Any serious differences in low resolution could have nasty
effects on things like self-rotations, Pattersons etc.

Cheers

Clemens

On Thu, Dec 13, 2007 at 10:44:57AM +0100, yuliya.dallantonia at uni-graz.at wrote:
> Dear all!
> 
> Probably you have often that problem, but I didn't find out how I can solve it.
> For SHARP run I used sca files. I know that my Anom signal is not very strong, but using SHELX or Auto-Rickshaw I received relativ good map, where I can recognize 4 helixes.
> I have one monomer in asymm unit - double coiled-coil.
> The SHARP found unexpected large peak(s) in self-rotation (native and derivatives) can it be a problem?
> 
> I send you also my log file.
> 
> Look forward your answer
> 
> Best regards,
> 
> Yuliya Dall'Antonia

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