Hi Patrick,
don't think anyone has replied to your message yet. Measuring chemical
shift differences is in fact already on the To-do list
(http://www.ccpn.ac.uk/ccpn/software/ccpnmr-analysis/to-do-list/). We've
got a number of solid-state NMR people who are using CCPN Analysis here
in Berlin and have been working with the CCPN team to implement various
features which would be of particular help to solid-state users. We've
already requested both 'measuring shift distances' and the
identification of side-bands. But Tim and Wayne have got a long list of
things to do and I don't know what priority these things have.
For the moment I have suggested that people mark side-band peaks by
giving them a low merit in the peak list. If you go to 'Peak Draw
Parameters' and make sure the Merit Symbol is selected and a symbol
(e.g. *) for low-merit peaks is included below, then low-merit peaks
should get a little star next to them. This way your side-band peaks
will have mark in the spectrum and you won't be tempted to keep trying
to assign them.
Vicky
Patrick van der Wel wrote:
> Hello,
>
> I am not sure that the subject heading exactly captures what I would like to
> do, so here is a more detailed description: Would it be possible in Analysis
> to measure (i.e. display) the chemical shift difference between two arbitrary
> points in one spectrum? What I mean by this is the ability to 'mark' or
> indicate two points in the spectrum and have the program display the exact
> differences in both (or more) axes? Preferably in both (k)Hz and ppm?
>
> For solid state NMR applications this could be particularly interesting for
> picking out side bands appearing in the spectra, or compare the chemical
> shift difference between two peaks with the MAS rate (to determine possible
> R2 conditions, for instance). For such purposes, units of kHz would be most
> practical.
>
> By the way, it might actually be nice to (at some point) have some
> capabilities to mark (or 'assign') particular spinning side bands within
> SSNMR spectra. Currently those remain usually unmarked and could cause some
> confusion with 'real' peaks. Especially folded or aliased side bands can be
> tricky to identify.
>
> Patrick
>
>
--
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Dr. Victoria A. Higman
Leibniz-Institut fuer Molekulare Pharmakologie (FMP)
NMR-Supported Structural Biology
Robert-Roessle-Str. 10
13125 Berlin
Germany
Phone: +49-30-94793 223
E-mail: [log in to unmask]
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