On Tuesday, July 26, 2011 01:59:32 pm Thomas White wrote: > On Thu, 21 Jul 2011 18:36:59 -0700 (PDT) > Michael Thompson <[email protected]> wrote: > > > I would like to view the intensity-weighted reciprocal lattice for > > several data sets that I have collected. (The data have been indexed, > > integrated and scaled with Denzo and Scalepack.) I was wondering if > > anyone could offer some advice on what might be the best and/or most > > practical way to do this?
The program "xrspace" in the XtalView package does this. http://www.iucr.org/__data/assets/pdf_file/0010/8983/dem.pdf You can produce files in the required format by using something like this (example taken from the XtalView FAQ): mtz2various hklin sm_phased_dm.mtz hklout sm_phased_dm.phs << eof labin FP=F FOM=FOMDM PHIB=PHIDM OUTPUT USER '(3I4,x,F7.2,3x,F7.2,3x,F7.2)' END eof Ethan > > For the "Hollywood graphics" shown in various talks about the LCLS > X-ray laser nanocrystal work, I generated something very similar to > what you want. To do it, I wrote a program which ate a list of > reflections and wrote a script for Persistence of Vision (raytracer), > then invoked the raytracer in "animation mode" to make individual > frames of animation before using a video encoding program (mencoder or > Final Cut Pro) to stich them together. It was all a bit hacky, and it's > a terrible way to visualise results for anything other than impressing > audiences, but it did work. The code to do it is in our FEL > crystallography suite which will be released publicly quite soon. > Customising the animation is done by editing the source code, and isn't > easy. > > For something a few years ago, I wrote a different program which, > amongst many other things, showed a 3D reciprocal lattice weighted > exactly how you describe and allowed you to roll it around and zoom in > and out. If it sounds useful, I could resurrect that old code and tidy > it up a bit to make it useful - there's not much to it. It could be > useful for my own work, so I could prioritise it a little higher if it > could be useful to other people...? > > Tom > -- Ethan A Merritt Biomolecular Structure Center, K-428 Health Sciences Bldg University of Washington, Seattle 98195-7742
