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[ccp4bb] [Fwd: [ccp4]: iso - anisotropic B factor refinement on Refmac5] |
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CCP4bb navigationCCP4bb <-- 2007 <-- December 2007 <-- 06 December 2007Subject: [Fwd: [ccp4]: iso - anisotropic B factor refinement on Refmac5] From: Ronan Keegan r {- dot -} m {- dot -} keegan {- at -} DL {- dot -} AC {- dot -} UK Date: 2007-12-06 Thu, 6 Dec 2007 05:31:28 +0000 thread-index: Acg3yUASHLkeXlw7RRWmpWPUQzSP+w== Received: from mserv8.dl.ac.uk ([148.79.80.36]) by exchange16.dl.ac.uk with Microsoft SMTPSVC(6.0.3790.1830); Thu, 6 Dec 2007 05:31:28 +0000 Content-Class: urn:content-classes:message Importance: normal Priority: normal X-MimeOLE: Produced By Microsoft MimeOLE V6.00.3790.2992 Received: from dlmail2.dl.ac.uk (dlmail2.dl.ac.uk [148.79.163.114]) by mserv8.dl.ac.uk (8.13.1/8.13.1) with ESMTP id lB65VRou015035; Thu, 6 Dec 2007 05:31:27 GMT Received: from dlmail2.dl.ac.uk (dlmail2.dl.ac.uk [127.0.0.1]) by dlmail2.dl.ac.uk (8.12.11.20060308/8.12.11) with ESMTP id lB65VRcO007030; Thu, 6 Dec 2007 05:31:27 GMT Received: from localhost (mail@localhost) by dlmail2.dl.ac.uk (8.12.11.20060308/8.12.11/Submit) with SMTP id lB65VRKH007028; Thu, 6 Dec 2007 05:31:27 GMT X-Authentication-Warning: dlmail2.dl.ac.uk: mail owned process doing -bs Received: by dlmail2.dl.ac.uk (bulk_mailer v1.13); Thu, 6 Dec 2007 05:31:27 +0000 Received: from dlmail2.dl.ac.uk (dlmail2.dl.ac.uk [127.0.0.1]) by dlmail2.dl.ac.uk (8.12.11.20060308/8.12.11) with ESMTP id lB65VRY8007023; Thu, 6 Dec 2007 05:31:27 GMT Received: (from majord@localhost) by dlmail2.dl.ac.uk (8.12.11.20060308/8.12.11/Submit) id lB65VRhX007021; Thu, 6 Dec 2007 05:31:27 GMT X-Authentication-Warning: dlmail2.dl.ac.uk: majord set sender to owner-ccp4@dlmail2.dl.ac.uk using -f Received: from mserv9.dl.ac.uk (mserv9.dl.ac.uk [148.79.80.67]) by dlmail2.dl.ac.uk (8.12.11.20060308/8.12.11) with ESMTP id lB65VQo9007018 for X-DL-MFrom: X-DL-Connect: Received: from mailhub2.otago.ac.nz (mailhub2.otago.ac.nz [139.80.64.247]) by mserv9.dl.ac.uk (8.13.1/8.13.1) with ESMTP id lB65VNtD016893 for Received: from its-ex-p05.registry.otago.ac.nz (its-ex-p05.registry.otago.ac.nz [10.4.15.134]) by mailhub2.otago.ac.nz (8.13.8/8.13.8) with ESMTP id lB64wp3S014862 for Received: from its-ex-p05.registry.otago.ac.nz ([10.4.15.139]) by its-ex-p05.registry.otago.ac.nz with Microsoft SMTPSVC(6.0.3790.3959); Thu, 6 Dec 2007 17:58:51 +1300 Received: from [10.0.1.2] ([139.80.16.137]) by its-ex-p05.registry.otago.ac.nz over TLS secured channel with Microsoft SMTPSVC(6.0.3790.3959); Thu, 6 Dec 2007 17:58:51 +1300 Message-ID: <4757818B.3040203@otago.ac.nz> Date: Thu, 06 Dec 2007 17:58:51 +1300 From: =?iso-8859-1?Q?Rafael_Cou=F1ago?= User-Agent: Thunderbird 2.0.0.9 (Windows/20071031) MIME-Version: 1.0 To: Subject: [ccp4]: iso - anisotropic B factor refinement on Refmac5 Content-Type: text/plain; format=flowed; charset="ISO-8859-1" Content-Transfer-Encoding: 7bit X-OriginalArrivalTime: 06 Dec 2007 04:58:51.0027 (UTC) FILETIME=[B172D630:01C837C4] X-PMX-Version: 5.4.0.320885, Antispam-Engine: 2.5.2.313940, Antispam-Data: 2007.12.5.204028 X-PerlMx-Spam: Gauge=IIIIIII, Probability=7%, Report='BODY_SIZE_500_599 0, __CT 0, __CTE 0, __CT_TEXT_PLAIN 0, __HAS_MSGID 0, __MIME_TEXT_ONLY 0, __MIME_VERSION 0, __SANE_MSGID 0, __USER_AGENT 0' X-Greylist: Sender IP whitelisted, not delayed by milter-greylist (mserv8.dl.ac.uk [148.79.80.36]); Thu, 06 Dec 2007 05:31:27 +0000 (GMT) X-Greylist: Delayed for 00:32:25 by milter-greylist (mserv9.dl.ac.uk [148.79.80.67]); Thu, 06 Dec 2007 05:31:26 +0000 (GMT) X-CCLRC-SPAM-report: -2.312 : BAYES_00 Sender: Return-Path: Hi, I had a very curious result when doing a round of isotropic B factor refinement on Refmac5. After iso B my R is 19.2 and Rf 24.3. My resolution is 1.95, what does not justify anisotropic b-factor refinement. However I did it by mistake and it dropped my R to 17.8 and Rf to 23.5. More curiously, I next did a B iso refinement round and my R dropped to 16.1 and Rf to 21.8! Would you have any insights why my second round of iso B refinement dropped my Rs considerably after the aniso B refinement? Thank you very much, Rafael. CCP4bb navigationCCP4bb <-- 2007 <-- December 2007 <-- 06 December 2007 |
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