HKL-2000 has a menu button at the top "Report". If you click on that a report is generated with mosaicity range explicitly listed.
It is probably not suitable to describe a crystal as having a single mosaicity value because mosaicity may be anisotropic. It should be obvious that a unit cell like 58 x 58 x 150 may have a bigger mosaicity along the 58 directions and a smaller mosaicity along the 150 direction and still have the Bragg reflections spatially separated. Thus, the mosaicity reported/used by diffraction image processing is probably just the best estimate for the mosaicity model used by the algorithm AND the orientation of the crystal in the experiment. Jim ________________________________________ From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Edward A. Berry [ber...@upstate.edu] Sent: Friday, May 16, 2014 11:45 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] report mosaicity If you "refine crystal mosaicity" (I assume there is a way to do that in the gui) then scalepack prints out a single value for the crystal (search the logfile for mosaicity) eab On 05/16/2014 12:07 PM, hongshi WANG wrote: > Dear all, > > Thanks for all your reply and useful comment on this. > Harry, > You are right. I think there are individual mosaicity value corresponding to > each image from scalepack. > Clearly, we can get either average or range for report. > > best, > Hongshi > > > On Fri, May 16, 2014 at 2:26 AM, Harry Powell <ha...@mrc-lmb.cam.ac.uk > <mailto:ha...@mrc-lmb.cam.ac.uk>> > wrote: > > Hi > > I'm sure that a real HKL or Denzo/Scalepack expert will correct me, but > my recollection is that you > don't use any of the values from Denzo, but the value from Scalepack (see > > http://www.hkl-xray.com/sites/default/files/HKL2000manual/chapter3/step14-1.htm, > for example). > > > On 16 May 2014, at 00:26, hongshi WANG wrote: > >> Hello everyone, >> >> I am gonna report the mosaicity of my data set as required by the >> journal. I processed the data >> using HKL2000. So I checked the denzo log file. I found many different >> mosaicity values. The first >> one is default input (0.3), the rest are corresponding to specific >> images. I think the mosaicity >> value required should be an overall value or averaged value. Could you >> please let me know how I can >> get it. Or some other software can determine it. >> I really appreciate your help and response! >> >> Hongshi > > Harry > -- > ** note change of address ** > Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick > Avenue, Cambridge Biomedical > Campus, Cambridge CB2 0QH > Chairman of European Crystallographic Association SIG9 (Crystallographic > Computing) > > > > > > > > > >
