> 1) So far i have been picking peaks in a 3d spectrum plane by plane.. is
> there any method to do it faster?
You can select any number/thickness of z planes and pick in the whole
region at the same time. To increase the thickness of the z range
click and drag the edge of the Z region scrollbar with the middle mouse
button.
> 2) When i compare two spectra which have been collected from different
> machines or slightly different conditions, there is a variable shift
> difference between them. How do i handle them, because i cant propagate
> peaks for these kind of spectra.
There are two options here:
1, If the differences are not important you could simply increase the
chemical shift assignment tolerance for the spectrum dimensions you are
propagating to. See Experiment::Edit Spectra: [Tolerances]. If you do this
you might also want to diminish the affect of a spectrum on the mean shift
values by altering the shift weighting.
2, You can use a different shift list for the different spectra. This is
set in Experiments::Edit Experiments via the Shift List column. If your
spectra use different shift lists the chemical shift averages will be
calculated separately for each list so the spectra do not affect one
another. You will be able to propagate assignments between peaks in
different shift lists, thus defining the shift value of a resonance in the
new shift list.
Also note that, as of the next release there will be the ability to
manually set a shift's value if the shift has become orphaned (not used in
any peaks under the shift list). This will be helpful if you mistakenly
make an assignment in a new shift list - otherwise the shift will retain
its last, incorrect value and may be outside the assignment range for the
correct peak.
T.
-------------------------------------------------------------------------------
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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