No matter what the value printed out for Rmerge in the outer shell is, I recommend using "-" or "n/a" in your paper. This is because sum(|I-I0|)/sum(I) actually is equal to "n/a" when sum(I) = 0.
-James Holton MAD Scientist On Wed, Aug 14, 2013 at 8:41 AM, Pietro Roversi < pietro.rove...@bioch.ox.ac.uk> wrote: > 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 >
