Hi Matt, I believe figure 3 here: https://www.nature.com/articles/s41467-018-06957-w is relevant to your question. Pavel
On Tue, Sep 5, 2023 at 11:32 AM Matt McLeod <mjmcleo...@gmail.com> wrote: > 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/ > ######################################################################## 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/
