What type of Rfree flags do you have? The CCP4 flags will be a random integer between 0 and 19, with 0 being used for the free set. Reminding myself: "Phenix uses the CNS/XPLOR convention for R-free flags, where 1 marks the test set and 0 the "working" set." Shelx is different, too, but that probably doesn't matter here. Anyway, I think if you have a phenix Rfree set, 95% of the reflections will have flags of zero (the phenix working set) and CCP4 would regard these as the test set and only use the phenix Rfree set (5% of the data) for the working set. Don't ask how I know, but you can get Rfree values lower than Rwork at this point. Combine this with low completeness and perhaps that is what is happening.
Best wishes, Jon Cooper. jon.b.coo...@protonmail.com Sent from Proton Mail mobile -------- Original Message -------- On 28 Feb 2024, 16:21, Justin Cruite wrote: > Thanks everyone, > > I agree, 18.4% Rwork and Rfree is too good to be true for a 3.4 Å dataset. > The data was processed using autoProc and the staranisano mtz was used for > MR. The completeness is only 38%. It could be that the Rfree and Rwork > reflection sets are small because of this? What is the best way to check the > number of reflections used for Rwork and Rfree? Is this dataset usable at all? > > Thanks! > > Justin > > On Wed, Feb 28, 2024 at 10:21 AM nicfoos <nicf...@embl.fr> wrote: > >> Hello Justin, >> >> There is something weird in your results. You mention Rwork/Rfree of >> 0.1837. >> This means a pretty good refinement and also is very unusual to be >> obtain for a resolution of 3.37. >> Additionally you should not have Rfree = Rwork. >> I suspect something wrong with you Rfree reflections sets. What size is >> it ? Is your dataset complet ? >> How did you cut the res. ? >> >> I hope this may help you. >> >> Nicolas >> >> On 2024-02-28 16:10, Justin Cruite wrote: >>> Hi everyone, >>> >>> What does it mean if your Rwork and Rfree are exactly the same? >>> >>> I solved a 3.37 Å structure with Phaser-MR and immediately ran 10 >>> cycles of refinement with wxc = 0.1. Everything else at default. The >>> Rwork and Rfree are both 0.1837. Is this bad? >>> >>> Thank you! >>> >>> Justin >>> >>> ------------------------- >>> >>> To unsubscribe from the CCP4BB list, click the following link: >>> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > --------------------------------------------------------------- > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
