9 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Refinement against frames
Dear Boaz,
Indeed, small molecule crystallographers are routinely converting pixels
into I's and can refine structures to very low R-values, but only to a
limited resolution. The Bragg intensities are very strong, and
b
972-8-646-1710
From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Loes
Kroon-Batenburg [l.m.j.kroon-batenb...@uu.nl]
Sent: Tuesday, June 25, 2013 1:09 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Refinement against frames
Dear Boaz,
Indeed, small molecule crystallographer
CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Tim Gruene
[t...@shelx.uni-ac.gwdg.de]
Sent: Monday, June 24, 2013 2:59 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Refinement against frames
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Dear John,
actually I am not a frien
Dear Tim,
With a full interpretation of the diffuse scattering as well how about papers
becoming entitled:-
The structure and dynamics of enzyme X
As you intimate some diffuse scattering is crystal dependent ie phonons
derived. Other aspects are however not correlated over multiple unit cells but
Hi Tim,
I don't follow your point...frames are just data, and with more information
than after integration. The data after integration is also to some extent
dependent on the beamline.
It should indeed give a more accurate description of the crystal contents -
whether that in turn will translate
72-8-646-1710
From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Tim Gruene
[t...@shelx.uni-ac.gwdg.de]
Sent: Monday, June 24, 2013 2:59 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Refinement against frames
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Dear John,
actually I am not a friend of this idea. Processing software make an
excellent job of removing the instrumental part from our data. If we
start to integrate against frames, the next structural title might be
something like "Crystal structur
