Re: [ccp4bb] Twin - Data reduction and refinement in Refmac

2010-10-13 Thread Garib N Murshudov
.4261 | 0.4499 | >- >| << 4 | P 65 | 0.0596 |--| 0.1961 | 0.2315 | >- > > R-factor in the ori

Re: [ccp4bb] Twin - Data reduction and refinement in Refmac

2010-10-13 Thread Peter Chan
I see. Thank you for the reassuring and helpful pointers. Best, Peter Subject: Re: [ccp4bb] Twin - Data reduction and refinement in Refmac From: ga...@ysbl.york.ac.uk Date: Wed, 13 Oct 2010 23:55:56 +0100 CC: CCP4BB@JISCMAIL.AC.UK To: pc...@hotmail.com It seems that evidence is convincing

Re: [ccp4bb] Twin - Data reduction and refinement in Refmac

2010-10-13 Thread Peter Chan
have not used Bhat's omit maps before. I will give it a shot and see how it may improve my model building. Best, Peter > Date: Wed, 13 Oct 2010 17:35:09 +0200 > From: frederic.velli...@ibs.fr > To: pc...@hotmail.com > Subject: Re: [ccp4bb] Twin - Data reduction and refinement in R

Re: [ccp4bb] Twin - Data reduction and refinement in Refmac

2010-10-13 Thread Peter Chan
e: Wed, 13 Oct 2010 21:51:57 +0100 From: ga...@ysbl.york.ac.uk Subject: Re: [ccp4bb] Twin - Data reduction and refinement in Refmac To: CCP4BB@JISCMAIL.AC.UK As a general rule intensity based refinement gives higher R-factor especially when intensities are weak. Truncate smoothes out data and Rfactors become low

Re: [ccp4bb] Twin - Data reduction and refinement in Refmac

2010-10-13 Thread Garib N Murshudov
As a general rule intensity based refinement gives higher R-factor especially when intensities are weak. Truncate smoothes out data and Rfactors become lower (it is not necessary that model becomes better) In your case it may happen that your space group is higher. To check that you can do simp

[ccp4bb] Twin - Data reduction and refinement in Refmac

2010-10-13 Thread Peter Chan
Hello All, I am a graduate student working on my first merohedrally twinned data set. Like a few, I am a bit intimidated by it. After some trial and error with the help of some online resources and ccp4bb posts, I seem to have solved the structure. However, I am still unsure about some of the