Hi Karthik,
Of course if I'd looked more closely then based on what I said the
correct bit is wrong. The code assigns the ambiguity code based on the:
- stereospecific assignment status in CCPN
- the chemical shift value (so even if not stereospecifically
assigned, if the shifts are the same it gets code 1)
It uses some tolerance to determine 'same shift', if I remember
correctly, so probably that's where it's going wrong.
In any case, this is one of those things that's never going to work
exactly right for everyone, but I'll see what I can do.
Wim
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