Hi Abdul, The way in which I did it in the 2006 paper was a simple python script that selected the h+k+l = 2n or 2n+1 reflections from a plain text reflection list in the XDS format, wrote them out and and I then copied and pasted the header rows back in and used the resulting file as an input for XSCALE. However I think the separate scaling trick only works if you actually have a bimodal distribution of intensities and therefore the regular scaling algorithms overestimate the sigmas for the weak reflections. A way to check this is to look at the cumulative intensity distribution; if it looks normal I don't think the separate scaling will help you.
HTH, Esko _____________________ Esko Oksanen, PhD Instrument Scientist - Neutron Macromolecular Crystallography European Spallation Source ESS AB P.O Box 176, SE-221 00 Lund, Sweden Visiting address: Tunavägen 24, Lund Switchboard: +46 46 888 00 00 Phone: +46 46 888 30 36 Mobile: +46 721 79 20 36 E-mail: [email protected]<mailto:[email protected]> www.esss.se<http://www.esss.se/> The European Spallation Source is a Partnership of 17 European Nations committed to the goal of Collectively building and operating the world's leading facility for research using neutrons by the second quarter of the 21st Century On Dec 27, 2012, at 9:03 PM, Ethayathulla Abdulsamath wrote: hi everybody I have a question about scaling weak and strong reflections separately. I am working on P3 Pseudotranslation symmetry dataset with 0,0,0.5 translation. I have got soln through MR with in P3121, P3221, P321, with LLGs 1000, TFZ=15.2 using phenix which has applied pseudotranslation and seems to be definite solution but i could not refine the structure the r-factor get struck with 47/53. The molecule packing looks good with no space for another monomer. From the article Oksanen<http://scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Oksanen%2C%20E%2E>, et al 2006 D62, 1369-1374 have scaled (h+k+l=2n+1) weak and strong reflections separately and used strong reflections for restrained refinement and weak reflections for rigid body refinement. I dont know how to scale them separately, so that i can try to refine the structure using weak and strong reflections. IF somebody can suggest how to scale them separately. I have also attached the hklview of reflections. Thank you Abdul [http://sigads.rediff.com/RealMedia/ads/adstream_nx.ads/www.rediffmail.com/signatureline.htm@Middle]<http://sigads.rediff.com/RealMedia/ads/click_nx.ads/www.rediffmail.com/signatureline.htm@Middle?> Catch India as it happens with the Rediff News App. To download it for FREE, click here<http://track.rediff.com/click?url=___http://www.rediff.com/newsapp___&lnk=signature&newservice=newsapp>
