Re: [ccp4bb] point group...321

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

Re: [ccp4bb] point group...321

Sent: Thursday, March 29, 2018 4:27 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] point group...321 Hi, Can the point group 321 show indexing ambiguities? if not since I'm dealing with non-anomalous dataset can I use 3m1 instead? Thank you, Best, Gihan

[ccp4bb] point group...321

Hi, Can the point group 321 show indexing ambiguities? if not since I'm dealing with non-anomalous dataset can I use 3m1 instead? Thank you, Best, Gihan

[ccp4bb] AW: [ccp4bb] Point group

von dhaval patel Gesendet: Freitag, 22. Mai 2015 06:21 An: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [ccp4bb] Point group 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

Re: [ccp4bb] AW: [ccp4bb] Point group

with. This is, in my eyes, not significant. Best, Herman *Von:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *Im Auftrag von *dhaval patel *Gesendet:* Freitag, 22. Mai 2015 06:21 *An:* CCP4BB@JISCMAIL.AC.UK *Betreff:* Re: [ccp4bb] Point group Even I have the same problem my crystals get

[ccp4bb] AW: [ccp4bb] AW: [ccp4bb] Point group

Cc: ccp4bb Betreff: Re: [ccp4bb] AW: [ccp4bb] Point group Dear Herman Thanks for reply. My molecule is generally found to be tetramer. In P212121 space group cell content analysis shows 4molecules in asymmetric unit and in P4212 it shows two molecules in asymmetric unit. Dhaval Patel PhD

Re: [ccp4bb] AW: [ccp4bb] AW: [ccp4bb] Point group

:* Re: [ccp4bb] AW: [ccp4bb] Point group Dear Herman Thanks for reply. My molecule is generally found to be tetramer. In P212121 space group cell content analysis shows 4molecules in asymmetric unit and in P4212 it shows two molecules in asymmetric unit. Dhaval Patel PhD Student

Re: [ccp4bb] Point group

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,

Re: [ccp4bb] Point group

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

[ccp4bb] Point group

Dear all I can process my 3.8 A dataset in either P4 or P422 point groups. MR searches and refinement in SG P41 and P41212 results in R/Rfree of around 30/35 % with 8 and 4 NCS copies, respectively. Pointless doesn't seem to complain but Xtriage suggests 25 % twinning in the former (refinement

Re: [ccp4bb] Point group

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

Re: [ccp4bb] Point group

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. I

Re: [ccp4bb] Point group

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