Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring

2019-04-04 Thread Eleanor Dodson
Can you use sftools to get two ranges eg: select reso >3.85 and > 3.75 Eleanor On Thu, 4 Apr 2019 at 11:39, Frank von Delft wrote: > You can use sftools to set a shell of reflections to MNF - then Refmac > will fill those in with DFc, and that'll presumably be much better than > having ver

Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring

2019-04-04 Thread james.parkhu...@diamond.ac.uk
ice rings are causing systematic errors. Best wishes James From: CCP4 bulletin board on behalf of Frank von Delft Sent: 04 April 2019 11:39:19 To: ccp4bb Subject: Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring You can use sftools to set a

Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring

2019-04-04 Thread Frank von Delft
You can use sftools to set a shell of reflections to MNF - then Refmac will fill those in with DFc, and that'll presumably be much better than having very wrong reflections. Whether that will fix your Rfactor is a different story. phx On 04/04/2019 11:05, Eleanor Dodson wrote: You cant exclu

Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring

2019-04-04 Thread Christian Roth
I would also check carefully the other potential ice rings resolution ranges. I doubt there is just the one you can identify easily. On Thu, Apr 4, 2019 at 12:07 PM Eleanor Dodson < 176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote: > You cant exclude one resolution ring in REFMAC - there wo

Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring

2019-04-04 Thread Eleanor Dodson
You cant exclude one resolution ring in REFMAC - there would be ways to fudge the exclusion from your current file, but much safer to use a data integration tool On Thu, 4 Apr 2019 at 10:27, wrote: > Dear Sam, > > > > I would remove the ice ring and reprocess the data. Ice rings may wreak > havo

[ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring

2019-04-04 Thread Herman . Schreuder
Dear Sam, I would remove the ice ring and reprocess the data. Ice rings may wreak havoc with scaling so at minimum you have to redo the scaling. Best, Herman Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Sam Tang Gesendet: Donnerstag, 4. April 2019 11:01 An: CCP4BB@JISC