In response to:
> > if i get a relevant peak from my peaklist and then use 'Assign', i can only
> > re-assign to e.g. He1 or He2. is there an He* resonance? i think have a dim
> > memory of linkResonances complaining about these names.
>
> The issue here is that by default Analysis (and possibly FormatConverter)
> treats aromatic protons like Phe Hd or He as two separate resonances,
> which would mean that (like Hb2,Hb3 prochirals) if you have a peak which
> refers to both He1 and He2 you have to make two separate peak dimension
> contributions (which would automatically generate the He* annotation).
In the format converter this is handled differently: for aromatic protons
that are NMR equivalent an atom set is generated to combine HE1 and HE2,
and you only have one resonance for both (this is basically the same
treatment as a methyl group). So if you read in a chemical shift list
where 'HE*' is specified, or where both 'HE1' and 'HE2' have the same
chemical shift value, then you'll get only one resonance... treatment is
for these is then different from Tim's.
Bye,
Wim.
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