[ccp4bb] anisotropic diffraction in refinement

2009-09-01 Thread Justin Hall
Dear All; I am working with a data set which is anisotropic. The resolution limits are ~ 2.75 by 3.45 A. The I have integrated (using Mosflm) the data out to 2.75 A, the data therefore includes a mix of real (I/sig 1) and imaginary (I/sig ~1) data past the 3.45 A resolution bin. I am

Re: [ccp4bb] anisotropic diffraction in refinement

2009-09-01 Thread Pavel Afonine
Hi Justin, may be I mis-understood your question, but can't anisotropic scale factor that is the part of the total structure factor (as defined in phenix.refine for example and most likely in the other programs): Fmodel = scale_overall * exp(-h*U_overall*ht) * (Fcalc_atoms + k_sol *

Re: [ccp4bb] anisotropic diffraction in refinement

2009-09-01 Thread Lari Lehtiö
There is a ellipsoidal truncation and scaling server you might want to try. http://www.doe-mbi.ucla.edu/~sawaya/anisoscale/ ~L~ __ Lari Lehtiö Pharmacy, Department of Biochemistry and Pharmacy Åbo Akademi University, BioCity, FIN-20520 Turku