Processing (integration and scaling) only depends on the point group, not the space group, so it is the same in P222 and P212121. Structure solution is different so you may need to try different space groups
Phil On 9 Dec 2014, at 14:36, Uma Ratu <rosiso2...@gmail.com> wrote: > Hi, Eleanor: > > Thank you for your suggestions. > > In HKL, I integrated the data set with P222, and scaled it with P222 and > P212121. > > From pointless, it says the data better fit with P212121. > So I would like to process the data with P212121 as well. > > > And you have NCS translation at 0,0,0.5 which makes it hard to be sure if > > the SG is P21212 or P212121 > That gives the (probably incorrect) suggestion that the data might be twinned > > This might be the reason that import failed with P212121. > > Regard > > Uma > > > On Tue, Dec 9, 2014 at 6:31 AM, Eleanor Dodson <eleanor.dod...@york.ac.uk> > wrote: > I suspect this is an external problem - there is no failure message in the > P212121 case.. > Obviously the input data is different for the 2 sets, do you know why? The > integration should be identical. > > And you have NCS translation at 0,0,0.5 which makes it hard to be sure if the > SG is P21212 or P212121 > That gives the (probably incorrect) suggestion that the data might be twinned > > > Not sure why there are differences in the log files and the tasks - > scale[pack2mtz and ctruncate should run more or less identically for these > two cases. I suggest checking your input, and trying again > Eleanor > > > > > > > > On 8 December 2014 at 21:51, Uma Ratu <rosiso2...@gmail.com> wrote: > Dear All: > > I try to import the .sca file from hkl2000. > > The data was scaled as "P212121" from HKL2000. > > In ccp4, I used "scalepack2mtz" from "Scalepack(Denzo") into MTZ format, run > as Ctruncate. > > The import stopped at "Twin fractione estimates exluding operators" and > didn't go any further. > > I scaled the data as "P222", and imported it using "scalepack2mtz". > It went through without problem. > > I have the log files from both imports attached. > > Could you advice why the "P212121" can't go through? > > Thank you > > Uma > > > >
