ok, a bit more on this topic. i did use formatconverter to import my aromatic
assignments and it created He1 and He2 assignments for an He* assignment with
an He* annotation on the relevant peak but the He1 and He2 resonances don't
exist. if i clean a peak and reassign it it has to be with Hea and Heb (not He1
and He2 as i said previously). this then creates the appropriate resonance
objects. am i missing something or is this just a syntactic oversight?
phil
> 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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