I forgot to email about the second point. So it turns out that Analysis
was fitting the peak position, which is not a good idea I'd say (!) so
I've changed it now (in 2.2.2 and 2.3.0) so that it doesn't do this for
synthetic peaks, and that seems to have sorted the problem (well in my
The first point I also reproduced. It gets almost all the spin systems
correct but not all of them.
On Thu, 18 Jul 2013, Wim Vranken wrote:
> Dear Nina,
>> Has anyone experienced something like that? It's not really a bad thing, just a bit annoying to manually add 20 to 40 resonances to their spin systems every time a cyana run is imported into Analysis.
> It is hard to know why happens without having the file; can you send me the .prot file (off-list)? I suspect it's either a small change in the format itself, or a sequence mismatch.
> In relation to the second point, two things could be happening as far as I can see: the first is that the FC, when you import chemical shift data in an already existing shift list, will try to merge the chemical shift data if it can. The second is that Analysis automatically updates the chemical shift value of resonances based on the position of peaks that are assigned to those resonances; might that be happening?