hi,
i'm trying to use analysis to measure rdcs from ipap spectra in which i've
edited the two doublet components into separate spectra - say, ipap_sum
and ipap_dif. i'm thinking of starting from an assigned n-hsqc and
stepping through each peak in turn, copying the assignments to the doublet
components of the ipap spectra as i go along (need to examine each in turn
because sometimes peaks overlap, disappear etc.) the problem with this
approach, if i understand the program correctly, is that each resonance
would have to be associated with 3 peaks with very different chemical
shifts from which an average value would be calculated. maybe i could set
the contributions for the ip+ap and ip-ap to zero, but is this sort of
approach the best? also, i've noticed that an 'rdc' class exists already.
any ideas on how to proceed / how you envisaged people using analysis to
measure rdcs?
thanks in advance
graeme
(bionmr edinburgh)
|