[phenixbb] conversion from h3 to r3 with phenix apps

Green, Todd green at cbse.uab.edu
Fri Aug 10 15:11:26 PDT 2007

i should have been more specific the angle should have been 89.978. also, when i process the data i get about 25% difference in r-merge between the rhombohedral(0.088) and cubic(0.112) space group. How significant is this difference?


-----Original Message-----
From: phenixbb-bounces at phenix-online.org on behalf of Oganesyan, Vaheh
Sent: Fri 8/10/2007 4:43 PM
To: PHENIX user mailing list
Subject: Re: [phenixbb] conversion from h3 to r3 with phenix apps
Having some experience with R3/R32 your choice for rhombohedral lattice seems a bit confusing. Are you sure the angles are 90,90,90?
This might be cubic, IMHO.
Vaheh Oganesyan
-----Original Message-----
From: phenixbb-bounces at phenix-online.org [mailto:phenixbb-bounces at phenix-online.org]On Behalf Of Green, Todd
Sent: Friday, August 10, 2007 5:29 PM
To: phenixbb at phenix-online.org
Subject: [phenixbb] conversion from h3 to r3 with phenix apps
Hello all,

I have what i believe to be a rhombohedral crystal that has an insanely large cell with the hexagonal setting:

533.026   533.026   652.887    90.000    90.000   120.000

and a modestly large cell comparatively with the rhombohedral setting:

377 377 377 90 90 90

I should be able to easily reindex to the smaller cell in scalepack but for some reason i'm not getting it to work correctly. Rather than struggle further on a friday afternoon, i figured that i'd give a phenix app a try. i assume xtriage can do this, can someone point me in the correct direction?

thanks in advance-

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