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Hi Christoph,

> > One other problem with Cyana/XEasy peak/shift lists is that the peak lists
> > are assigned to 'atom serials' that you have to get from the shift list,
> > so you cannot get the assignment for peaks unless you get the 'atom
> > serial' information from the shift list.
> >   
> I know. The resolution of resonance (or atom) - numbers is provided by 
> the Xeasy .prot-file that I also import. Analysis generates a new 
> resonance list from this file. However, it seems that if there is 
> another resonance list present in the project the linking seems to fail. 

By resonance list do you mean shift list? When importing data using the
formatConverter, things get complicated when there's already a lot of data
present - it does, however, try to use as much of the existing data as
possible. But this process is by no means perfect.

Basically, when you read in a shift list it will first create a new
ShiftList. It will then try to use existing Resonances - but because the
atom assignment is basically a string in the XEasy/Cyana format this will
not work unless Resonances were already 'tagged' with their corresponding
XEasy name, for example if you started your project by an XEasy import (if
there is a Resonance match this way, then it will use the existing
Resonance and create a new Shift for it). Anyway in your case the
FormatConverter will create new Resonances, which means that then you have
to run linkResonances to merge these with existing Resonances or link them
to Atoms. This is a complicated process and things can go wrong.

I can only really have a good look at what's going on if you send me your
original (pre-Cyana-import) CCPN project and a shift/peak set of the Cyana
file to import. If you then let me know exactly what you do when importing
I can figure out where the process derails.

> At least thats what I decipher from the "text-output" that happens when 
> I try to export that list again. Then I get things like
> 
> Warning: No resonanceSet for resonance with name '  .74.HB2' (xeasy 
> names) - ignored
> Can't handle resonance '  .74.HB2' (xeasy names)

This means that new resonances were created during the import (so it
couldn't or didn't use the existing ones), and these resonances were
subsequently not linked to an atom (see above).

Wim