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Dear CCP4bb,
I've been having a bit of a play with Xia2 and it seems do perform well.
However, it seems to be getting a bit confused as to me upper resolution limit
(output stats below). Is there anyway in the input *.xinfo to manually force a
high resolution limit?
Cheers,
Paul..
P.S. the data is for Se-SAD
Overall OuterShell
Low resolution limit 95.78 2.35
High resolution limit 2.23 2.23
Rmerge 0.063 0.994
Rmeas (within I+/I-) 0.075 1.206
Rmeas (all I+ & I-) 0.100 1.153
Rpim (within I+/I-) 0.039 0.670
Rpim (all I+ & I-) 0.038 0.475
Fractional partial bias -0.009 -0.141
Total number of observations 250751 20063
Total number unique 38703 3804
Mean((I)/sd(I)) 14.6 1.8
Completeness 92.5 64.7
Multiplicity 6.5 5.3
Anomalous completeness 90.4 59.7
Anomalous multiplicity 3.4 2.9
DelAnom correlation between half-sets 0.796 0.031
Mid-Slope of Anom Normal Probability 1.692
##################################
Dr Paul A. McEwan
Post-Doctoral Research Fellow
Protein Crystallography Group
Centre for Biomolecular Science
Clifton Boulevard
University of Nottingham
Nottingham
NG7 2RD
Tel: 0115 8468009
http://www.nottingham.ac.uk/~pazxtal
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