On 17/03/10 18:43, Wayne Boucher wrote:
> Hello,
>
> Each experiment has a given shift list, and the position for a given
> resonance for that shift list is the average over all the peakDims
> associated with that resonance, but weighted by spectrum as specified in
> the Experiment --> Spectra dialog in the top table in the Tolerances tab
> (the fourth/last column). So if you pick new peaks then it will affect
> the average only relative to the shift list of the corresponding
> experiment. (Tim could explain it better.)
>
> Wayne
>
Hi Wayne,
I rechecked my project. So the Chsqc experiment is assigned to shiftlist
1 which all other experiments are also assigned to.
So principly it shouldn't matter which peaklist, a synthetic or the
Default one, is used for peak picking and the avarage as well as the SD
of a resonance should change if I assign a peak and add by that new
PeakDim to resonances. Right?
Here it isn't. See the screenshots. I moved the Ca/Ha peak of Ala2 and
only the SD changed very little. Also if one moves it much further, only
SD changes and that in only small steps.
http://dev.gentoo.org/~jlec/location1.png
http://dev.gentoo.org/~jlec/location2.png
If I do the same with a Default Peaklist it acts like you said.
Thanks justin
--
Justin Lecher
Institute for Neuroscience and Biophysics
ISB 3 - Institute for structural biochemistry
Research Centre Juelich GmbH,
52425 Juelich,Germany
phone: +49 2461 61 5385
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