Be careful you havent picked up the staraniso output which has already truncated data.. Sometimes this is a good thing but as users we need to know the alternatives! Eleanor
On Tue, 26 Nov 2019 at 10:16, Matthias Oebbeke < [email protected]> wrote: > Thank you all, for your replies! Some of you suggested that there > could be reflections at the corners of the detector, which are 'cutted > by the edges'. This also came to my mind, but the data was collected > until 1.7A at the edges. > > I will take the advice to refine against the low and the high > resolution cutted datasets and compare them. (For high resolution > limit refinement I got a R-work of 0.2098 and R-free of 0.2655 after a > few refinement cycles with phenix using isotropic parameters) > > Thanks again for your help. > > > Best regards, > Matthias Oebbeke > > > > > Zitat von "Winter, Graeme (DLSLtd,RAL,LSCI)" <[email protected] > >: > > > The data are > 90% complete at low resolution, where the > > completeness is more important, so this is probably fine - you would > > probably benefit from better detector placement in the future as > > the data are good to the edge. > > > > Was the detector offset or just too far away? 120° for an oP lattice > > should be relatively complete - as appears to be the case for low > > angle data here. > > > > The reflections you have measured are almost certainly a better > > estimate of F^2 than 0, which is what you are saying if you do throw > > them away :-) > > > > Best wishes Graeme > > > >> On 25 Nov 2019, at 13:11, Matthias Oebbeke > >> <[email protected]> wrote: > >> > >> Dear ccp4 Bulletin Board, > >> > >> I collected a dataset at a synchrotron beamline and got the > >> statistics (CORRECT.LP) after processing (using xds) shown in the > >> attached pdf-file. > >> > >> Do you think this dataset is usable, due to its low completeness? > >> As you can see in the attached file the completeness is just 50% in > >> the highest resolution shell, whereas the I over Sigma is above 2 > >> and also the CC 1/2 (80%) and the R factors (36.8%) have reasonable > >> values. Furthermore the overall statistic are good regarding R > >> factor, CC 1/2 and I over Sigma. The only problem seems to be the > >> completeness. If I would set the cut-off at a lower resolution to > >> get good completeness, I would throw away nearly half of my > >> reflections. > >> > >> I'm happy to here your opinion. In Addition to that: The space > >> group is orthorhombic and the dataset was collected over 120° using > >> fine slicing (0.1°). > >> > >> > >> Best regards, > >> > >> Matthias Oebbeke > >> > >> > >> -- > >> Matthias Oebbeke, M.Sc. > >> Research Group of Professor Dr. G. Klebe > >> Institute of Pharmaceutical Chemistry > >> Philipps-University Marburg > >> Marbacher Weg 6, 35032 Marburg, Germany > >> Phone: +49-6421-28-21392 > >> Mail: [email protected] > >> www.agklebe.de > >> > >> ######################################################################## > >> > >> To unsubscribe from the CCP4BB list, click the following link: > >> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > >> <CORRECT_LP.pdf> > > > > > > -- > > This e-mail and any attachments may contain confidential, copyright > > and or privileged material, and are for the use of the intended > > addressee only. If you are not the intended addressee or an > > authorised recipient of the addressee please notify us of receipt by > > returning the e-mail and do not use, copy, retain, distribute or > > disclose the information in or attached to the e-mail. > > Any opinions expressed within this e-mail are those of the > > individual and not necessarily of Diamond Light Source Ltd. > > Diamond Light Source Ltd. cannot guarantee that this e-mail or any > > attachments are free from viruses and we cannot accept liability for > > any damage which you may sustain as a result of software viruses > > which may be transmitted in or with the message. > > Diamond Light Source Limited (company no. 4375679). Registered in > > England and Wales with its registered office at Diamond House, > > Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 > > 0DE, United Kingdom > > > > -- > Matthias Oebbeke, M.Sc. > Research Group of Professor Dr. G. Klebe > Institute of Pharmaceutical Chemistry > Philipps-University Marburg > Marbacher Weg 6, 35032 Marburg, Germany > Phone: +49-6421-28-21392 > Mail: [email protected] > www.agklebe.de > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
