> this is only a good solution if there are indeed sub-peaks to be observed,
> and this is not always - maybe even hardly ever - the case.
> a more general solution would be to have the ability to fit to peak shapes
> which could have any form. the exact form of the peak shapes could of
> course be determined in various ways, directly from the data (from a
> reference peak for example) or from some kind of fitting of an analytical
> function to the data. I guess this should be the least freedom-limiting
> solution
>
> I´ve worked with very narrow linewidth noesy spectra, where multiple
> couplings were visible as tri- & quadruplets and worse, but not so
> well resolved that a sub peak solution would be workable.
I suppose that if the peak-groups are sufficiently separated from each other,
an approach taking the 'center of mass' based on the intensity distribution
might be less complex to set up (initially) than such a peak-fitting routine
that might vary from peak to peak.
Patrick
|