Hi Jon, this is an interesting link. The quality of the absolute scales can be benchmarked with small molecule data. As F000 for X-ray diffraction is the sum of electrons, it can be conveniently determined from counting when each atom is actually modelled. Maybe this has been done, I only read the introduction.
Best, Tim On Sat, 1 Jul 2023 06:01:11 +0000 "Hughes, Jonathan" <jon.hug...@bot3.bio.uni-giessen.de> wrote: > hallo again, > thatnks for your replies and warnings about quantifying electron > density. it seems that there are fundamental uncertainties that make > quantitative measurement difficult or even impossible. however, the > redoubtable david von stetten (alias T-REXX) mentioned that "absolute > maps" try to fix the problem: > https://bl831.als.lbl.gov/END/RAPID/end.rapid/Documentation/end.rapid.Manual.htm > best jon > > -----Ursprüngliche Nachricht----- > Von: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> Im Auftrag von > Hughes, Jonathan Gesendet: Mittwoch, 28. Juni 2023 18:16 > An: CCP4BB@JISCMAIL.AC.UK > Betreff: [ccp4bb] quantifying electron density > > hello everyone, > is there software that can use an electron density map to quantify > the number of electrons in a selected volume somewhere in a protein? > cheers jon > > -- > Professor Jon Hughes, BSc, PhD > Department of Physics > Free University of Berlin > Arnimallee 14 > 14195 Berlin > Germany > mobile: (+49/0)1757929098 > email: lv...@posteo.de > homepage: > http://www.uni-giessen.de/fbz/fb08/Inst/pflphys > Sent without the use of Apple products > > ######################################################################## > > 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/ -- -- 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 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/
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