More from Tim:
"RMM" is just Right Mouse Menu. ;-)
The average chemical shifts can be found from any peak table (e.g. of
selected peaks) by clicking the peak's row and then [Resonances]. - The
peak position can be typed into the table to be the average. (Though it
would be possible to add a function to Analysis to set a peak position to
its resonance average). The moved peak could then be the reference to
unite the resonance positions.
Also, it may be worth noting that playing with peak positions so that
overlapped/distorted regions don't influence the chemical shift average
can often be avoided by decreasing the influence of individual spectra on
the averaging calculation: Menu:Experiment:Spectra:Tolerances - Shift
Weighting column. For example a precise well-separated spectrum, as an
authoritative source of shift values, may have a shift weighting of more
than 1.0, but a severely overlapped or ambiguous one may have almost none.
There is no means to align resonances from a table; we generally felt that
this operation was not so scientific and so the user should at least be
looking at the spectrum. We could create a macro script if this really
causes a problem.
Another functionality that may help is the synthetic peak list creation:
Menu:Peak:Peak Lists - Synthetic Lists. This will use shift list averages
to create whole peak lists for most types of experiment. Although,
naturally you need to have an authoritative set of chemical shifts first.
Wayne
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