-----Original Message-----
From: Tim Stevens <[log in to unmask]>
To: [log in to unmask]
Date: Wed, 22 Feb 2006 11:50:24 +0000
Subject: Re: assign root resonances on HCCONH
> when I tried to do the same thing with the HCCONH spectrum (widow
> mapping: 1H 1H 15N, spectrum dimensions: 1H 15N 1H), "assign root
> resonances" function wouldn't assign the picked HCCONH peaks from the
> corresponded HSQC peaks no matter how I adjusted the tolerances on HN
> dimensions. Would that be because analysis is confused by two proton
> dimensions and not able to tell which dimension the resonances should go
> to?
Theoretically the two 1H dims are distinguished by the reference experiment
that your HCCONH experiment is linked to, so maybe check that this is set
OK (Experiment::Experiment Types) - looking especially at lower Reference
Dimensions table for the experiment: here you can swap over the mapping of
experimental dimension to reference dimension (which ultimately contains
the info about which dims are bonded).
The system works with my own 1H,1H,15N experiments. If the reference info
all seems OK I will investigate furth.
I had a look at the mapping of Exp Dim and Ref Exp Dim. They were the same(see attached snapshot1). When I tried to swap over the REF Exp Dim 1 and 3, they were both gone blank(see snapshot2) and there went an error message:
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/ccpnmr1.0/python/memops/gui/PulldownMenu.py", line 269, in <lambda>
command = lambda n=n: self.setSelectedIndex(n)
File "/usr/local/ccpnmr/ccpnmr1.0/python/memops/gui/PulldownMenu.py", line 425, in setSelectedIndex
self.callback(selected_index, self.entries[selected_index])
File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/EditExperimentTypePopup.py", line 412, in setRefExpDim
expDimRef2.setRefExpDimRef(refExpDimRef2)
File "/usr/local/ccpnmr/ccpnmr1.0/python/ccp/api/Nmr.py", line 30281, in setRefExpDimRef
raise ApiError("%s.setRefExpDimRef:" % self.qualifiedName +
ApiError: ccp.Nmr.ExpDimRef.setRefExpDimRef:refExpDimRef constraint value_refExpDim_is_self_expDim_refExpDim violated by value:<ccp.NmrExpPrototype.RefExpDimRef [45, 6, 1, 1]>
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/ccpnmr1.0/python/memops/gui/PulldownMenu.py", line 269, in <lambda>
command = lambda n=n: self.setSelectedIndex(n)
File "/usr/local/ccpnmr/ccpnmr1.0/python/memops/gui/PulldownMenu.py", line 425, in setSelectedIndex
self.callback(selected_index, self.entries[selected_index])
File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/EditExperimentTypePopup.py", line 414, in setRefExpDim
expDimRef.setRefExpDimRef(refExpDimRef)
File "/usr/local/ccpnmr/ccpnmr1.0/python/ccp/api/Nmr.py", line 30281, in setRefExpDimRef
raise ApiError("%s.setRefExpDimRef:" % self.qualifiedName +
ApiError: ccp.Nmr.ExpDimRef.setRefExpDimRef:refExpDimRef constraint value_refExpDim_is_self_expDim_refExpDim violated by value:<ccp.NmrExpPrototype.RefExpDimRef [45, 6, 1, 1]>
Then I tried to put them back again but it can only work with Dim 3 (see snapshot3) and the error message goes:
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/ccpnmr1.0/python/memops/gui/PulldownMenu.py", line 269, in <lambda>
command = lambda n=n: self.setSelectedIndex(n)
File "/usr/local/ccpnmr/ccpnmr1.0/python/memops/gui/PulldownMenu.py", line 425, in setSelectedIndex
self.callback(selected_index, self.entries[selected_index])
File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/EditExperimentTypePopup.py", line 415, in setRefExpDim
initExpTransfers(expDimRef.expDim.experiment)
File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/ExperimentBasic.py", line 125, in initExpTransfers
measurement = expDimRef.refExpDimRef.expMeasurement
AttributeError: 'NoneType' object has no attribute 'expMeasurement'
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