No - no - failure has nothing to do with the SG - only the point group matters..
You dont need to reintegrate - integration only requires knowledge of thecrystal class. That must be why you get some different results. If you like to send me the 2 sca files I can check more carefully. Eleanor On 9 December 2014 at 15:03, Phil Evans <[email protected]> wrote: > 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 <[email protected]> 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 < > [email protected]> 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 <[email protected]> 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 > > > > > > > > >
