And perhaps I should add that the heights in Analysis are ok (there's not
much you can do to get those seriously wrong) but the volumes are not ok
in all circumstances. One of these days we'll get a better algorithm...
Wayne
On Wed, 9 Mar 2005, Tim Stevens wrote:
> > hi. i've recently started exporting restraint lists from analysis (export aria
> > list option) and noticed that some of the intensity values seemed unusually
> > high. i messed around with things for a while but found no obvious reason for
> > this. i have just now tried starting a new analysis session with a new project
> > and the same noesy spectrum. when i assign a few peaks and create a restraint
> > list in this setup (all options same as used in the generation of the original
> > restraint list), the corresponding peaks in the 'old' project are all have
> > volumes 4.25x greater than those in the 'new' project (the height and volume
> > values in edit peak are identical for all peaks in both the old and new setup).
> > any idea why this might be?
>
> The intensity types may be mixed. One set of constraints may have
> been created using the volumes but the other set with heights. In this
> case you would expect a fairly constant ratio between the intensities for
> the same peak, given that our rudimentary peak picker/integrator is based
> upon a simple parabolic fit.
>
> If this is not the issue, then the only other thing that springs to mind
> is that the way that volumes are calculated for peaks has changed since
> the early versions of Analysis. So, if you have an old peak list you may
> want to recalculate intensities (from the peak list editor).
>
> Tim
>
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