Re: [ccp4bb] Metrics for hkl2map (Fe SAD)

2016-10-13 Thread Fabio Dall'Antonia
Dear Mohamed, more important than the absolute values of CCall/CCweak is the distribution of these statistics among the solution-trials of one SHELXD computation job (i.e. based on a particular data set). In the HKL2MAP scatter-plot, there should be at least one, or a set of, solutions that

[ccp4bb] Metrics for hkl2map (Fe SAD)

2016-10-10 Thread Mohamed Noor
Dear all I am trying to solve a structure using Fe SAD collected with mini-kappa from several non-isomorphic crystals (following on from the previous thread https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1608&L=CCP4BB&D=0&P=35088). Xtriage suggests weak anomalous signal to 4 A. For the SHEL