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Dear Paul, The resolution limits are decided as follows: During integration, the high resolution is limited to where the reflections are measured with an I/sigma of about 1.0. This resolution limit is applied per-sweep. During scaling, the resolution cut-off is set to where the I/sigma for a sweep is about 2.0. This resolution limit is applied per-wavelength. I have thought about offering the option of providing user-defined resolution limits, but hadn't gone any further than this. Probably providing configuration options for the integration and scaling average I/sigma limits would be more appropriate - would this help in this case? E.g. an I/sigma of 3.0 for scaling. Hope this helps... Cheers, Graeme -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Paul McEwan Sent: 17 January 2007 12:31 To: ccp4bb@dl.ac.uk Subject: [ccp4bb]: resolution cut off in Xia2 *** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk *** 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 ################################## This message has been checked for viruses but the contents of an attachment may still contain software viruses, which could damage your computer system: you are advised to perform your own checks. Email communications with the University of Nottingham may be monitored as permitted by UK legislation.
