using height as the peak intensity type yields lower intensities but they are
still quite high. and when i create height-based restraints using the new setup
and compare with height-based restraints from the old setup, the old project has
intensities 3x those of the new. ??
phil
Quoting Wayne Boucher <[log in to unmask]>:
> 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
> >
> >
>
-------------------------------------------------------------------------------
> > Dr Tim Stevens Email: [log in to unmask]
> > Department of Biochemistry [log in to unmask]
> > University of Cambridge Phone: +44 1223 766022 (office)
> > 80 Tennis Court Road +44 7816 338275 (mobile)
> > Old Addenbrooke's Site +44 1223 364613 (home)
> > Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23
> > United Kingdom http://www.pantonia.co.uk
> >
>
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> > ------ +NH3CH(CH(CH3)OH)C(O)NHCH(CH(CH3)CH2CH3)C(O)NHCH(CH2CH2SCH3)CO2-
> -------
> >
>
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> >
>
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