> Here are screenshots of the
> situation after reproducing and cloning peaks into an empty peak-list,
> respectively. The source (red) and destination (purple) spectra are
> recorded with the same offset in this situation. I may have been a bit
> too quick yesterday saying that the 'Edit Assignment' popup suggests the
> right assignment for the reproduced peaks - sorry. I hope this may
> enlighten you.
Hi Kaare,
Thanks for the info; this all makes sense now. The problem is due to the
assignment tolerances. The existing record of the chemical shift average
for the proton resonance doesn't match the position in the destination
spectrum.
So, I concur when Brian suggests to use separate experiments and shift
lists (and conceptually they really are separate experiments given the
model), or you could be naughtly and widen the 1H assignment tolerances -
Experiment::Edit Spectra:[Tolerances].
The difference between "clone" and "reproduce" was that the cloning is a
data model manipulation that copies things blindly. Reproduction goes
through all of the usual Analysis routines of picking and assigning, so
slower is but has more checks and works in more situations.
On a more general note, a system in Analysis to deal with coupling and
peak multiplets properly is on the cards for v1.1. - This system aims to
work with arbitrary multiplicity and dimensionality, so is good for your
situation as well as RDCs, COSY etc. The benefit will be that the shifts
for the underlying resonances remain unsullied and the splitting is
recorded separately, so that the final peak position is a combination of
both.
T.
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Department of Biochemistry [log in to unmask]
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