HKL2000 sets to 0 the Rmerge in any shell where it is higher than 100% OUCH
Sent from my Desktop Dr. Pietro Roversi Oxford University Biochemistry Department - Glycobiology Division South Parks Road Oxford OX1 3QU England - UK Tel. 0044 1865 275339 ________________________________________ From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Yafang Chen [yafangche...@gmail.com] Sent: 14 August 2013 16:32 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Rmerge of the last shell is zero Dear All, Here are some more details about the question I asked earlier about "Rmerge is 0 in the last shell". I processed the data using HKL2000. The space group is I213. Redundancy is 10.2 (10.3). I/sigma is 34.8 (2.3). Rmerge is 6.5 (0.0). Since I/sigmaI is more than 2 in the last shell, I preferred not to cut back the resolution any more. But I don't know how to explain Rmerge in the last shell being 0. Besides, I am wondering if this data is publishable (with Rmerge being 0 in the last shell). Thank you so much for your help! Best, Yafang On Wed, Aug 14, 2013 at 10:59 AM, Yafang Chen <yafangche...@gmail.com<mailto:yafangche...@gmail.com>> wrote: Dear All, I recently processed a dataset, in which I/sigmaI of the last shell is 2.3, while Rmerge of the last shell is 0. Does anyone know why the Rmerge is 0? The completeness is 100 (100). Thank you so much for your help in advance! Best, Yafang -- Yafang Chen Graduate Research Assistant Mesecar Lab Department of Biological Sciences Purdue University Hockmeyer Hall of Structural Biology 240 S. Martin Jischke Drive West Lafayette, IN 47907 -- Yafang Chen Graduate Research Assistant Mesecar Lab Department of Biological Sciences Purdue University Hockmeyer Hall of Structural Biology 240 S. Martin Jischke Drive West Lafayette, IN 47907
