> I have a little niggle with what resonances remember when working
> with separate shiftlists. I have data from two conditions where I have
> the spectra at the different conditions contributing to separate
> shiftlists. When I transfer assignments between peaks in the separate
> shiftlists, all works nicely except in the situation that I accidentally
> transfer assignments to the wrong peak (as can easily be done using
> propagte assignments and forgetting to check that you only have the
> appropriate crosspeaks selected). Having done this it is usually easy
> enough to remove the contributions from the misassigned peaks, but then
> the resonances (now no longer contributors to any assigned crosspeaks in
> the second shiftlist) still remember that misassigned shift.
>
> Is there any way to get at a resonance to adjust/clear/reset its shift
> in a shiftlist where it (currently) contributes to no crosspeaks?
Katherine had the same problem here only about a week ago and I'm
currently thinking about how to change things.
Certainly two things that I will do for the future are:
Enable the user to enter a shift value for a shift pertaining to no
peaks.
Display not only the total peaks in the resonance browser, but
also the peaks that apply to only the selected shift list. - So that you
can readily find these orphaned shifts.
As Analysis stands at the moment however, to get around the problem I
suggest assigning the peak (where you're not given the option the resonace
with the mis-assigned shift) to a new resonance. Then, in the resonance
browser, you can merge this new resonance with the one you really wanted
to assinged to.
Tim
-------------------------------------------------------------------------------
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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