Hi Tim F000 is customarily not included in MX electron density for the reason you mention. This doesn't matter because the contour levels are completely arbitrary anyway, i.e. you choose a level that shows the features you expect to see. This can be misleading of course since there may be significant features at lower density than you expected due to thermal motion / disorder or maybe H atoms; however including F000 would not change that.
Cheers -- Ian On Mon, 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/
