Difficult datasets: Difference between revisions
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(New page: Small-molecule and low resolution protein datasets have few reflections per frame. The following parameters then may be adjusted (typical values are given): # NBATCH=2 ! to reduce the n...) |
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Revision as of 15:22, 22 December 2009
Small-molecule and low resolution protein datasets have few reflections per frame. The following parameters then may be adjusted (typical values are given):
- NBATCH=2 ! to reduce the number of scale factors
- DELPHI=45 ! to base reflection profiles and refinements on more reflections
- REFINE(INTEGRATE)= ! do not refine anything
It may be tried to recycle GXPARM.XDS to XPARM.XDS, and to grab the lines e.g.
BEAM_DIVERGENCE= 2.067 BEAM_DIVERGENCE_E.S.D.= 0.207 REFLECTING_RANGE= 2.303 REFLECTING_RANGE_E.S.D.= 0.329
from INTEGRATE.LP and to insert them into XDS.INP .