Re: [ccp4bb] Trying to cut the resolution of the datasets

2012-03-20 Thread Graeme Winter
Hi Pete, A couple of observations with this. I found when doing cell refinement with Mosflm setting a conservative resolution limit *was* very helpful in making sure that the refinement was stable. But then switching back to the full detector area for integration was fine after that. However -

Re: [ccp4bb] Trying to cut the resolution of the datasets

2012-03-19 Thread Eleanor Dodson
Qs 1) Why do you want to limit your data? Most applications allow you to only use a specified sub-set - see GUI tasks for resolution limits. In general you may want to run moleculer replacement or exptl phasing at a limited resolution, but for refinenement or phase extension it is good to

Re: [ccp4bb] Trying to cut the resolution of the datasets

2012-03-19 Thread Graeme Winter
... presuming of course the automated software got this resolution limit right. If for whatever reason you would like to cut the limit mtzutils will do this nicely: mtzutils hklin blah_free.mtz hklout blah_lower.mtz eof resolution 1.8 eof (say) - I am sure there are other ways within the suite

Re: [ccp4bb] Trying to cut the resolution of the datasets

2012-03-19 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Abd Ghani, The method described by Graeme is how the resolution can be delimited artificially. If you want to get the best from your data, determine the resolution limit of your data e.g. with pointless (I/sigI 2.0 is a good marker) and

Re: [ccp4bb] Trying to cut the resolution of the datasets

2012-03-19 Thread Graeme Winter
Hi Tim, That's interesting. When I looked at this (and I would say I looked reasonably carefully) I found it only made a difference in the scaling - integrating across the whole area was fine. However, I would expect to see a difference, and likely an improvement, in scaling only the data you

Re: [ccp4bb] Trying to cut the resolution of the datasets

2012-03-19 Thread Pete Meyer
Hi Graeme, That's interesting. When I looked at this (and I would say I looked reasonably carefully) I found it only made a difference in the scaling - integrating across the whole area was fine. However, I would expect to see a difference, and likely an improvement, in scaling only the data