To clarify further, what I get when copying from 2D to 3D is that all the
peaks have the correct 1H shift (dim 1 for me) and they are distributed
through the planes (dim2 in the AZARA file & under File Details), but the
15N shift of the peaks is not set at all. I guess the mapping from the 2D to
the 3D is going wrong.
I also managed to provoke a couple of other problems:
>>> C <-> Python peak mismatch. Selected C peak was not in currentPeaks.
happens when deleting peak(s) in the pseudo 3D - doesn't seem to happen in
other spectra. The peak(s) go though.
Then in my pseudo 3D, if I try to pick the peaks by hand (ctrl shift click
drag), most peaks are picked in most planes, but some big ones that should
be aren't. Then if I try to go in and pick any additional peaks by hand
(ctrl click) I get:
>>> Exception in Tkinter callback
Traceback (most recent call last):
File "/usr/lib/python2.4/lib-tk/Tkinter.py", line 1345, in __call__
return self.func(*args)
File
"/usr/local/ccpnmr/temporaryReleaseDir/ccpnmr/ccpnmr2.0/python/memops/gui/ScrolledWindow.py",
line 1007, in <lambda>
File
"/usr/local/ccpnmr/temporaryReleaseDir/ccpnmr/ccpnmr2.0/python/memops/gui/ScrolledWindow.py",
line 980, in releaseFunc
File
"/usr/local/ccpnmr/temporaryReleaseDir/ccpnmr/ccpnmr2.0/python/memops/gui/ScrolledWindow.py",
line 1559, in selectLocation
File
"/usr/local/ccpnmr/ccpnmr2.0/python/ccpnmr/analysis/popups/WindowPopup.py",
line 2269, in selectSingle
self.createNewPeak(a, b, row, col)
File
"/usr/local/ccpnmr/ccpnmr2.0/python/ccpnmr/analysis/popups/WindowPopup.py",
line 2305, in createNewPeak
for dataDimRef in dataDim.dataDimRefs:
AttributeError: 'SampledDataDim' object has no attribute 'dataDimRefs'
Finally, the first plane of the pseudo 3D seems particularly funny! When
picking peaks (ctrl shift click drag) peaks get picked on every point above
the picking threshold (or every other point etc if the exclusion buffer is
set >0).
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