Thanks - indeed I was simply unaware that the mosaicity is always reported as zero when using (auto)xds. So I guess since only two datasets also behave badly in mosflm, and both have bad multiple latticitis, my questions are answered.
Thanks, Ed. On Fri, 2012-05-25 at 16:31 +0100, Graeme Winter wrote: > Hi Ed, > > If you use XDS for integration then all of the reflections are full > (they are summed by the program during the integration), so there are > no partials from which to determine an estimate of the mosaic spread > in Scala. > > Mosflm 0 mosaic spread is a different issue, but has been much > improved in the latest versions of the program. > > Best wishes, > > Graeme > > On 25 May 2012 16:12, Ed Pozharski <epozh...@umaryland.edu> wrote: > > I should do more digging, but I hope maybe there is a simple explanation > > and someone has seen this before. On some datasets (collected at SSRL) > > I get SCALA reporting average mosaicity of 0.0. This probably happens > > at the integration stage, and for this whole set of datasets *always* > > happens when I use the autoxds scripts. When I go with mosflm/scala, it > > still happens for some, but not all datasets. I can process those that > > fail mosflm using denzo/scalepack, but it takes a bit of tinkering with > > parameters (diffraction is admittedly messy). > > > > Interestingly, it seems that at least in some cases all the other SCALA > > statistics are perfectly fine. I haven't checked yet how these will > > behave in refinement, but I suspect it will look OK too. > > > > I have found this by googling > > > > http://www.mail-archive.com/ccp4bb@dl.ac.uk/msg00422.html > > > > but it's from 2005 and I wonder if things changed since. Andrew > > mentions the multiple close lattices as one of the possible reasons, and > > it is indeed fairly common for these datasets. > > > > I cannot find anything in SCALA manual about mosaicity refinement, so I > > assume that scala (unlike scalepack) does not do that. So if I am to > > overcome the zero mosaicity issue by fixing it at mosflm stage, how > > important it is to get it close to the actual value? Or is it enough to > > just keep it sufficiently high to prevent rejections of legit spots? > > And, if I may ask one last question, is there a way to fix mosaicity in > > imosflm gui (I can *fix* it, but doesn't seem to be possible to choose a > > specific value). > > > > Cheers, > > > > Ed. > > > > -- > > After much deep and profound brain things inside my head, > > I have decided to thank you for bringing peace to our home. > > Julian, King of Lemurs -- Edwin Pozharski, PhD, Assistant Professor University of Maryland, Baltimore ---------------------------------------------- When the Way is forgotten duty and justice appear; Then knowledge and wisdom are born along with hypocrisy. When harmonious relationships dissolve then respect and devotion arise; When a nation falls to chaos then loyalty and patriotism are born. ------------------------------ / Lao Tse /
