> > In the future I will extend this functionality to automatically narrow the
> > possibilities down (to one) where I have assignments with 'onebond'
>
> * do you mean 'assigned' assignments or possible assignments?
Fully assigned to atoms or with a 'onebond' resonance relationship to
start with. Coordinated shift matches are a good plan later, i.e. so if
there are unassigned peaks at the reciprocal location I can prioritise
planes where the onebond/rooted dims both match to known resonances with a
onebond relationship.
> * what if the Cd assignment is not available, but the Hd is?
This will fit into the above scheme, to tie down coordinated shift
matching (assuming the Cd resonance exists somewhere but is not assigned
to the peak).
> * I hope symmetry related peaks can be from different spectra
They can with the latest version. - It uses the currently active peak
lists that are displayed in the window.
> * it might be useful to keep it general for all kind of nuclei
It already is. I look for isotope equality to get the transpose dims.
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 766022 (office)
80 Tennis Court Road +44 7816 338275 (mobile)
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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