Edward A. Berry wrote:
> Try grepping "crystal" your .x files (or whatever you called the
> denzo output files). Also grep for "start".
>
> By default denzo updates start-phi to the end
> of the previous oscillation. Since 0,5 degree is within radius of
> convergence, it re-refines crystal rotx to be compatible with this
> assumption and the oscillation photograph, which means crystal rotx
> will be moving backwards 0.5 degrees for each frame. Scalepack
> in postrefinement sees this as a serious case of "slippage" and is
> unable to postrefine a value of crystal rotx that is compatible with
> all the frames.
(and dies trying)
>
> It may be possible to turn of post-refinement with "POSTREFINE 0"
> or some such.
Or keep post-refinement but "fit batch rotx" instead of "fit crystal rotx".
This allows it to refine a separate value of rotx for every frame.
>
> Ed B
>
> Ed Pozharski wrote:
>> I want to process bunch of frames with extremely short step - i.e. these
>> are 0.5degree oscillations but crystal only rotates by 1 degree over
>> 1000 frames (I would have kept it at the same orientation if Rigaku
>> control software would allow zero step). Denzo can process the frames
>> all right, but scalepack chokes on it saying "Floating Exception". I
>> don't have much experience with mosflm, and it failed also.
>>
>> What I wonder is if this happens because both programs have some bug in
>> these unusual conditions or there is something fundamental that prevents
>> scaling such data?
>>
>> Cheers,
>>
>> Ed.
>>
>
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