Jrh correction:- in the last sentence the final statistical test must involve
the comparison of each of the two different dictionary distance values in turn
(essentially assumed to be exactly known for simplicity) versus the
experimentally derived distance and its DPI derived sigma (L).
In my personal opinion, whatever that is worth, I would question why you are
modelling a Mg2+ ion if you are having to go through some trouble to prove it
is there. If you dont see octahedral coordination to waters and or Asp/Glu it
probably is not a Mg.
HTH
