Dear Robert, the data sets don't seem too anisotropic, and the week reflections in poorly reflecting direction of dataset 1 that you include by setting the resolution range to 3.5A may not deteriorate the overall scaling that much.
They may actually be kicked out as outliers and not used for scaling anyhow so that your data are already anisotropically scaled - in a way. Best, Tim On 11/12/2014 10:26 PM, Robert Keenan wrote: > > > I have three datasets of varying quality collected from different regions of > a single crystal. In each case, the data are anisotropic (from Aimless using > CC1/2>0.5): > > Dataset 1: 3.5, 3.5 5.5 A > Dataset 2: 4.2, 4.3, 4.8 A > Dataset 3: 3.7, 3.9, 4.4 A > > I initially took a simple-minded approach and processed each dataset at the > appropriate resolution limit (set 1: 3.5A; set 2: 4.2A; set 3: 3.7A) using > XDS/XSCALE as implemented in xia2. The resulting merged dataset seems fine > (albeit with ugly stats in the high-res bins because of the anisotropy), and > it allowed me to solve the structure (Rfree/Rcryst ~31/26). > > Now I am wondering if I can improve the maps further by first applying an > ellipsoidal truncation (using the UCLA diffraction anisotropy server) and > then scaling/merging the three datasets together. However, it seems that the > UCLA anisotropy server only allows input of one dataset at a time, and it > outputs merged amplitudes. > > Is there some way to obtain the elliptically truncated but unmerged data for > each of the three datasets? > > More generally, are there preferred strategies for dealing with strongly > anisotropic data? > > Bob > > ---------------- > Robert Keenan > Associate Professor > Dept. of Biochemistry & Molecular Biology > GCIS W238 > University of Chicago > 929 East 57th Street > Chicago, IL 60637 > (o) 773.834.2292 > (f) 773.834.5416 > (e) bkee...@uchicago.edu<mailto:bkee...@uchicago.edu> > http://keenanlab.bsd.uchicago.edu > > > > > -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A
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