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
Ketawala
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
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
euder, Herman R&D/DE
> *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
>
D/DE
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
lower, just
> because the refinement program has more parameters to fiddle with. This is,
> in my eyes, not significant.
>
>
>
> Best,
>
> Herman
>
>
>
>
>
> *Von:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *Im Auftrag von
> *dhaval patel
>
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
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:
>
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
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
>> 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
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
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
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