Re: [ccp4bb] point group...321

2018-03-29 Thread Eleanor Dodson
Look at CCP4 v7.0 Program Documentation reindexing Yes PG 321 has two indexing options.. - *i.e.* reindex (h,k,l) to (k,h,-l) which is equivalent here to reindexing (h,k,l) to (-h,-k,l). On 29 March 2018 at 21:26, Gihan Ketawala wrote: > Hi, > Can the point group 321 show indexing am

Re: [ccp4bb] point group...321

2018-03-29 Thread Keller, Jacob
Yes, several, but it's only important when merging multiple data sets. And it's not really ambiguities but alternatives. JPK + Jacob Pearson Keller Research Scientist / Looger Lab HHMI Janelia Research Campus 19700 Helix Dr, Ashburn, VA 20147 Desk:

Re: [ccp4bb] Point group

2015-05-21 Thread Graeme Winter
Dear Mohamed You can get the equivalent of frame.CBF by using the duals image viewer with datablock or experiments.json and integrated.pickle. this will allow you to step through the frames looking at the actual integration boxes. Best wishes Graeme On 21 May 2015 17:02, "Mohamed Noor" wrote: >

Re: [ccp4bb] Point group

2015-05-21 Thread dhaval patel
Even I have the same problem my crystals get processed in to P212121 as well as P4212 and I am currently analysing the data but not able to conclude the space group. Any idea? Both structure while refining is giving around same R/Rfree. Any help will be appreciable. Dhaval Patel PhD Student, Bioin

Re: [ccp4bb] Point group

2015-05-21 Thread frazao
On 05/21/2015 05:23 PM, Keller, Jacob wrote: I can process my 3.8 A dataset in either P4 or P422 point groups. Do the scaling statistics look similar for both? If so, go with P422. Trying to enforce an incorrect symmetry operator would blow up your stats. ...But in the case of twinning, lower s

Re: [ccp4bb] Point group

2015-05-21 Thread Keller, Jacob
>> I can process my 3.8 A dataset in either P4 or P422 point groups. >Do the scaling statistics look similar for both? If so, go with P422. >Trying to enforce an incorrect symmetry operator would blow up your stats. ...But in the case of twinning, lower space groups can masquerade as higher ones

Re: [ccp4bb] Point group

2015-05-21 Thread David Schuller
On 05/21/15 11:56, Mohamed Noor wrote: Dear all I can process my 3.8 A dataset in either P4 or P422 point groups. Do the scaling statistics look similar for both? If so, go with P422. Trying to enforce an incorrect symmetry operator would blow up your stats. MR searches and refinement in S