Hi
I am not 100% sure of what the issue is here but there definitely seems to a
scenario where there is a difference between assigning peaks to resonances
manually and using "initialise roots", I sometime seem to end up with HSQC
spectra in projects where some peaks have a chain ID and some dont and some
have H and N in their name and some dont.
When you sort these by peak names you get essentially two sets of peaks,
those assigned by initialise roots and those assigned manually (although I
am not sure if it is 100% of them or whether there is another variable).
I have not looked into this extensively so the differences in peak names
could be arising from another cause but I wonder if this naming difference
is what the problem is with the Mars export? Likewise without looking into
it I am not sure how to reproduce this but I have seen it more than once.
So I think Brians advice to re-use "initialise roots" is a sound one.
Cheers
Ben
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