Dear Tim, I recall initiating a similar thread, and question, some years back. Ian may have answered similarly before. I was intrigued by Paul’s 5sigma Fo-Fc default cut off, rather than 3. But in practice as i delved in peaks below 5sigma I generally found, and still find, in many cases what are just obviously noise. Also I think it is good to have a consistent convention within Coot, listing as a default those peaks above 5sigma, if only as a place to start. [This unfortunately doesn’t answer your question.] Greetings, John
Emeritus Professor John R Helliwell DSc > On 2 May 2022, at 07:45, Tim Gruene <tim.gru...@univie.ac.at> wrote: > > Hello readers, > > how does Coot calculate the absolute map levels, i.e. the contour level > given as [e/A^3]? i always thought (rather from hear-say) that F000 was > necessary for the absolute level. With a small molecule structure, F000 > can be calculated from a complete model, but with solvent channels, the > number of disordered electron is not known, is it? > > Thanks a lot for a clarification! > > Best, > Tim > > > -- > -- > Tim Gruene > Head of the Centre for X-ray Structure Analysis > Faculty of Chemistry > University of Vienna > > Phone: +43-1-4277-70202 > > GPG Key ID = A46BEE1A > > ######################################################################## > > To unsubscribe from the COOT list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1 > > This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list > hosted by www.jiscmail.ac.uk, terms & conditions are available at > https://www.jiscmail.ac.uk/policyandsecurity/ ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
mime-attachment
Description: Binary data
