We have a high and low res pass on a crystal that is going to around 1.2 A on
the pilatus at Diamond.
We tried to scale them together using the xds CORRECT files from the xia2 -3dii runs (gives best results as far as we
can see comparing xia2.html files) through aimless via ccp4i interface.
The combined dataset looks worse (based on merging statistics at lower resolutions) than the individual particular at
low res.(Compared to scala xia2 runs).
XDS does not record the pilatus as having overloads even on the high res pass
using the correct detector parameters
http://xds.mpimf-heidelberg.mpg.de/html_doc/detectors.html
What I wanted to do was limit the resolution of the two runs ie to use low res between 100-2.5 beyond which completeness
plummets and then the highres between 8 and 1.2. Aimless does not seem to allow me to do that at least by the ccp4i
interface- is this then bad practice? I guess I could run a utility to remove the resolutions I don't want.
The one effect that makes me wonder if the lowres is better data, and worth combining, ie there is some overload in the
high res, is that it goes from 30-8 mean I/SIGI whereas the high res has I/SIGI of 15 in most of the low res shells and
then slowly falls off to 2.0 at 1.2 angstrom.
Am intending to carry on just using the hires pass.
Any comments?
I think Phil is in NZ and not looking at email hence putting this to the whole
community
--
Prof Nicholas H. Keep
Executive Dean of School of Science
Professor of Biomolecular Science
Crystallography, Institute for Structural and Molecular Biology,
Department of Biological Sciences
Birkbeck, University of London,
Malet Street,
Bloomsbury
LONDON
WC1E 7HX
email n.k...@mail.cryst.bbk.ac.uk
Telephone 020-7631-6852 (Room G57 Office)
020-7631-6800 (Department Office)
Fax 020-7631-6803
If you want to access me in person you have to come to the crystallography
entrance
and ring me or the department office from the internal phone by the door
