Greetings ;-)
I have discovered an (as yet unidentified cation) in the structure I am
currently solving. Data was collected to 1.3 A and the structure has
been refined anisotropically (SHELX-96) to R=17%
Given the resolution and R, the maps are sweet, and the positive density
in the Fo-Fc around the cation (presently modelled as a water) just screams
a cation of some sort. Would it be possible to unambiguously assign the
cation from among a list of Li, Na, K, Mg, Ca using only the electron density?
Can anyone suggest a method which would convince the reviewers? ;-)
Thanks
-Darren
