Hi,
> Simon Evans wrote:
> > hello
> >
> > I have found some problems with aria not assigning peaks that it should be
> > able to and have tracked down the problem to the fact that eg:
> >
> > I have in analysis the assignment:
> >
> > V58 Cga 19.67 V58 Cgb 21.59 V58 Hga* 0.93 V58 Hgb* 0.98
> >
> > but in the nmrview format output ppm.out I have:
> >
> > 58.CG1 21.59
> > 58.CG2 19.67
> > 58.HG11,12,13 0.93
> > 58.HG21,22,23 0.98
>
> this looks like the wrong behaviour, but maybe Cga and Hga* are not
> considered to be connected by default.
It is the wrong behaviour - and obviously not acceptable... I thought I
got that part sorted but I probably only tested it thoroughly in
import/export situations, not in the case where you create everything from
scratch.
There is actually a covalentlyBound link that can be set between
resonances that are linked (as is the case here), but that came after I
did the bulk of the FormatConverter work so I'm not using that at the
moment. I should be, though, so I will look into this today.
Wim
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