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> I remember using the merge Resonance yesterday. I was assigning an
> Asparagine sidechain NH. When I propagated the assigned 1H and 15H
> dimensions of the Asparagine NH from the HSQC to the NOESY strip I
> noticed that the 1H (direct) dimension for all Noesy peaks were assigned
> to both 119AsnH and an unassigned resonance number (possibly resonance
> [226] but I don't remember for sure). As I recall, I thought that by
> merging these resonances in the resonance menu I would simplify matters
> by having only one resonance for the 1H direct dimension of this
> sidechain NH. This may be the source of the problem however I don't
> understand how this would interfere with my T1 assignments unless the
> resonance 226 was present in the HSQC when I use the Group Peaks
> function in Data analysis -> Rate analysis.


I have been able to reproduce the problem. I strongly suspect it is indeed
caused by the merge on the resonances. Merging should be possible, and is
generally a good thing to do if it simplifies your project. However, the
function is very naughty in many respects, as it bypasses the API.

What I think is happening is that you made T1 measurements for both of the
resonances which were later merged. (Although why this should happen if
they have similar shifts is still a mystery) This would mean that there
are two measurements in the same list pertaining to the same resonance,
which is illegal as far as the API is concerned, but this would only be
noticed when checks are made next time the project is loaded.

Rest assured that for the next release (Friday hopefully) we'll put in
code to clean up the measurement lists after merges. Chemical shifts are
already dealt with properly, so its just a matter of extending this to T1,
T2 etc.

Tim

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 Dr Tim Stevens			Email: [log in to unmask]
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