> 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?
Yes. This is the place. It will group series of peaks, assign them and
extract the shift changes.
> There's a couple of fitting curves to select from but nothing that seems
> to apply to ligand titrations (eg, the Langmuir adsorption equation).
I'll talk with Wayne and see if we can put this in soon.
In the mean time maybe try some of the existing functions - they may be
close enough for finding and assigning some of the groups.
T.
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Dr Tim Stevens Email: [log in to unmask]
Department of Biochemistry [log in to unmask]
University of Cambridge Phone: +44 1223 766018 (office)
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Old Addenbrooke's Site +44 1223 364613 (home)
Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23
United Kingdom http://www.pantonia.co.uk
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