Hi Charles, This message usually means that refinement of cell parameters and distance blows up, e.g. huge cell dimensions and a huge distance. That is probably the reason behind the suggested method to fix the distance in IDXREF. However, I suspect that your error occurred in the INTEGRATE stage. I checked the XDS manual, and there is also a “REFINE(INTEGRATE)=” keyword. If your error occurred in the INTEGRATE stage, I would try this keyword with the same parameters as for the “REFINE(IDXREF)=” keyword. By the way, so far I got away with this problem by using a different (better) crystal, but next time I encounter this problem, I will try it as well!
Good luck and let me know if it worked, Herman Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von CPMAS Chen Gesendet: Donnerstag, 18. September 2014 22:44 An: CCP4BB@JISCMAIL.AC.UK Betreff: [ccp4bb] XDS, refinement not converge 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 -- *************************************************** Charles Chen Research Associate University of Pittsburgh School of Medicine Department of Anesthesiology ******************************************************
