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. It may be possible to turn of post-refinement with "POSTREFINE 0" or some such. Ed 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.
