Re: [ccp4bb] Rmerge of the last shell is zero

2013-08-14 Thread Frank von Delft
*From:* CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Yafang Chen [yafangche...@gmail.com] *Sent:* Wednesday, August 14, 2013 11:32 AM *To:* CCP4BB@JISCMAIL.AC.UK *Subject:* Re: [ccp4bb] Rmerge of the last shell is zero Dear

Re: [ccp4bb] Rmerge of the last shell is zero

2013-08-14 Thread Edward A. Berry
Great! and (oops) now I realize what I meant to say was compare cc* with cc-work and cc-free. eab Nat Echols wrote: On Wed, Aug 14, 2013 at 10:31 PM, Edward A. Berry mailto:ber...@upstate.edu>> wrote: If you refine once in phenix you can use phenix.cc_star to calculate cc* and compare wit

Re: [ccp4bb] Rmerge of the last shell is zero

2013-08-14 Thread Nat Echols
On Wed, Aug 14, 2013 at 10:31 PM, Edward A. Berry wrote: > If you refine once in phenix you can use phenix.cc_star to calculate cc* > and compare with R and R-free; from the output mtz file and your unmerged > .sca file. > FYI, this should also work with structures refined in Refmac, assuming it

Re: [ccp4bb] Rmerge of the last shell is zero

2013-08-14 Thread Edward A. Berry
--- *From:* CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Yafang Chen [yafangche...@gmail.com] *Sent:* Wednesday, August 14, 2013 11:32 AM *To:* CCP4BB@JISCMAIL.AC.UK *Subject:* Re: [ccp4bb] Rmerge of the last shell is zero Dear All, Here are some more

Re: [ccp4bb] Rmerge of the last shell is zero

2013-08-14 Thread Frank von Delft
013 11:32 AM *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

Re: [ccp4bb] Rmerge of the last shell is zero

2013-08-14 Thread James Holton
arks 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:

Re: [ccp4bb] Rmerge of the last shell is zero

2013-08-14 Thread Jeffrey, Philip D.
fang Chen [yafangche...@gmail.com] Sent: Wednesday, August 14, 2013 11:32 AM 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 us

Re: [ccp4bb] Rmerge of the last shell is zero

2013-08-14 Thread Pietro Roversi
: 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

Re: [ccp4bb] Rmerge of the last shell is zero

2013-08-14 Thread Yafang Chen
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 pref

Re: [ccp4bb] Rmerge of the last shell is zero

2013-08-14 Thread Phil Evans
multiplicity = 1.0? On 14 Aug 2013, at 15:59, Yafang Chen 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

Re: [ccp4bb] Rmerge of the last shell is zero

2013-08-14 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Yafang, a mathematically simple answer would be you collected no symmetry equivalent reflections, although experimentally this is probably difficult to achieve, unless your space group is P1. If you could tell the name of the software you used, t

[ccp4bb] Rmerge of the last shell is zero

2013-08-14 Thread Yafang Chen
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 Me