Hi Walter, yes, the latest version of phenix.refine creates four maps: 2mFo-DFc and mFo-DFc, where missing Fo are filled with DFc, and 2mFo-DFc and mFo-DFc, where Fo are taken and used "as is" (the corresponding coefficients in "_map_coeffs.mtz" file are marked with "_no_fill"). Maps computed with "filled" Fobs are supposed to be better looking (for incomplete datasets) and may help in resolving unclear / ambiguous densities. However, you need to use regular maps (computed with untouched Fobs) for presenting pictures in publications. Pavel. On 2/3/2009 9:13 AM, Walter Novak wrote:
Hi all,
I am doing joint X-ray neutron refinement, and in the 1.4-3 version I now get twice the number of choices of map coefficients when opening the mtz. Half now have "no_fill" with them. I am assuming that the difference between maps has something to do with missing Fobs, is that right? Which maps should I be looking at then?
Thanks, Wally
Walter R.P. Novak, Ph.D. Postdoctoral Fellow Rosenstiel Basic Medical Research Center Brandeis University 415 South St. MS 029 Waltham, MA 02454-9110 Phone: (781) 736-4944 Fax: (781) 736-2405
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