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> Hi Folks, > > In moments like this the program "pointless" from the CCP4 prerelease > web page is uniquely useful - it will score all of the plausible > spacegroup choices and will give you the answer in a matter of > moments. So does Xtriage (including twinning analyses) and xprep > Can save a lot of bother! Indeed! Peter > Cheers, > > Graeme > > -----Original Message----- > From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On > Behalf Of > Rob Gruninger > Sent: 30 November 2006 17:51 > To: Michael K Swan > Cc: [email protected] > Subject: Re: [ccp4bb]: HKL2000 processing. > > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Hi Michelle, > I had a similar problem which was a result of misindexing. The > data set > indexed as orthorombic but was actually monoclinic. When I scaled the > data as monoclinic my rejections dropped from several thousand to a > hundred or so. > Regards > Rob > > > Hi All, > > I have a question about processing in HKL2000. > > I have a dataset which looks like it will go out to 2.5A but the > > problem is that when I have integrated the 360 frames > (180degrees) to > > 2.4A I get a large number of rejects on scaling which exceeds > the > > 50000 limit. So is there any way to increase this limit or > another > > method of reducing the number of rejects? > > I can get scaling to work if I either cut the resolution down to > 3.0 > > or lower but alternatively if I exclude alot of frames and leave > say > > 90 then the rejects are below 50000 and the scaling produces > data that > > > looks good to at least 2.6-2.5A according to the I/sigma and an > Rmerge> <0.5 in the final shell, however the completeness suffers > due to the > > low number of frames. > > I should also say that I am suspicious that one of the reasons > for all > > > the rejects might be that in the centre of the pattern the spots > are > > of a good radial shape but towards the edge they become more > > elongated. I tried using the elliptical spot feature of HKL2000 > but > > this doesn't seem to be ideal as the spots are not always > elongated in > the same direction. > > Any thoughts or suggestions would be much appreciated, > > > > Mike Swan. > > > > > -- > Robert J.Gruninger B.Sc. > Graduate student > Department of Chemistry & Biochemistry > University of Lethbridge, 4401 University Dr. > Lethbridge, AB, Canada, T1K 3M4 > Phone:(403)329-2746 > Fax:(403)329-2057 > > >
