Re: [ccp4bb] xds process gave different cell parameters

2010-01-05 Thread harry
Hi I think that even post-refining with high resolution data you are unlikely to refine reliably to the same value within 1 part in 10,000 if you are making small differences to your processing. The differences you have are what I would consider to be within experimental error, so I wouldn't worry

Re: [ccp4bb] xds process gave different cell parameters

2010-01-05 Thread Vellieux Frederic
Nothing wrong with that approach in principle. You may want to have a few cycles of rigid body refinement before classical refinement. Just in case (but the cell parameters are very very close indeed). And the starting Rfactors should tell you if there is a problem or not. Fred. Jane Bailey w

[ccp4bb] xds process gave different cell parameters

2010-01-05 Thread Jane Bailey
Hi I was processing my data with XDS several runs, they gave slightly different cell parameters everytime, eg: 1) 77.100 103.850 116.550 90.00 90.00 90.00 P 21 21 21 2) 77.086 103.821 116.533 90.00 90.00 90.00 P 21 21 21 I have already a refined model from 1), can I use this m