Dear Charles, first I would check again that the input parameters are correct in XDS.INP, notably the wavelength, the distance, and the values of ORGX and ORGY. I like to check the latter with adxv. If you collected data at 2theta = 0 deg, it is often good enough to set ORGX and ORGY to half the respective detector dimensions.
Second check the images you used in SPOT_RANGE. Maybe there is a nicer sweep of your crystal? If the diffraction images look all reasonable, the SPOT_RANGE won't matter much, but sometimes a crystal looks decent in one direction and horrible in another one - in that case restrict SPOT_RANGE to the decent orientation. Cheers, Tim On 09/18/2014 10:44 PM, CPMAS Chen wrote: > Hi, there, > > I saw some warning info during XDS data processing, > > !!! WARNING !!! REFINEMENT DID NOT CONVERGE > LAST CORRECTION SHIFT WAS 6.1E-02 (should be < 1.0E-03) > > > I have tries the suggested method, > > REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS ! DISTANCE > > This warning is still there. > > Are there other options I can try to make this converge? > > Thanks! > > Charles > > > > -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A
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