Hello:
I have encountered some problems with "Copy Peak Assignments" tool. I have
done ARIA calculation on CCPNGrid Portal which created a new peak list for a
spectrum, that is, there are two peaks lists (one was in the project before
ARIA run and the second was created by ARIA) and a chemshift list linked to
the same spectrum. Because the second peak list contained only peaks for
which ARIA was able to make an assignment and all unassigned peaks were
missing in the peak list (is it supposed to be like this?), I've ended up
copying ARIA assignments to the original full peak list. After I've done
this the chemshifts assignment got screwed up for some resonances. Please
find attached screenshots which (I hope) contain the relevant information.
There I've shown the data for a selected resonance 27TyrH. Please also note
a warning in the shell.
I am not sure if other problems are related to the above. In the Peak
Selection popup you may notice that for the resonance 27TyrH in the direct
dimension F1 there are multiple assignments (89Val/27Tyr)N in nitrogen
dimension. And opposite: in F1 (27Tyr/29Arg)H are attached to F2 27TyrN.
Besides, in this popup particularly (and in others) it gives choices to
select in 3Dnoesy these views: "(F1)1H(F2)1H 15N in window1" or
"(F2)1H(F1)1H 15N in window1", while F2 is nitrogen dimension in the "Edit
spectrum referencing" popup.
I hope you can help me to sort out these problems.
Thank you,
Vitaliy
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