I want to analyze ligand titrations and thought I could do
it in analysis using the "experiment series" concept.
So I loaded a bunch of HSQCs corresponding to a particular "series"
(two ligand titrations, one pH titration) and divided them into
corresponding "experimental series", assigning a separate shift list
to each spectrum. But how do I proceed from here? Specifically:
- how can I "follow" a peak and propagate its assignment across the
entire series? Obviously by the end of the series, the new shifts will
be way out of the tolerances of the original spectrum.
- can I use the "Follow shift changes" dialog for ligand titrations?
There's a couple of fitting curves to select from but nothing that seems
to apply to ligand titrations (eg, the Langmuir adsorption equation).
Any help would be greatly appreciated, thanks!
Regards,
Martin <*>
|