Hi all, I am trying to get some insight in the accuracy/precision of occupancy refinements. I have done some 2-state occupancy refinements and have observed the refinement achieving ~0.25-0.3 occupancy for the minor population. This population, when observing the electron density maps, had essentially no evidence for it being present. I was wondering:
What are the errors in the reported occupancies? Is there a lower and upper limit to occupancy refinements? As in, if you occupancy refine two states and one is imaginary will it refine to approximately 1 and 0? Or does the background noise always given a positive number to the imaginary set? This would, to me at least, be the lower and upper limits to the occupancy refinements and could be used as a normalization factor for other atoms. Maybe my logic is off... Any insight or literature would be appreciated! Matt ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
