Dear Gary,
Some quick answers:
1) As you noticed, there is isAcquisition. Mayeb you know what the dim
numbers mean. Inside the model, the best I can recommend is trhrough teh
NmrExpPrototype (which assumes it has been set, and correctly).
Start at Nmr.ExpDimRef and do .refExpDimRef.expMeasurement.atomSites. For
measurements that are shifts there will be only one AtomSite. Check which
of your 1H atomsites is connected to teh 15N AtomSite with a
'transferType=='onebond' ExpTransfer.
2) I nkow nothing about keyword values. Pass to Tim
3) dataSource.getDataDims() and dataSource.dataDims are by definition
identical (the latter call the former). Just possibly the former might eb
very slightly faster. I prefer the latter as the more Pythonic way.
4) The order of PeakDimContrib.peakContribs is not guaranteed. You will
have to use the PeakContrib.dim.
Yours,
Rasmus
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Dr. Rasmus H. Fogh Email: [log in to unmask]
Dept. of Biochemistry, University of Cambridge,
80 Tennis Court Road, Cambridge CB2 1GA, UK. FAX (01223)766002
On Wed, 5 Apr 2006, Gary Thompson wrote:
> sorry more questions
>
> 1. if i am looking at a spectrum from the python world and it has two axes
> with identical isotope types eg 1h-15n-hsqc-1hnoesy. How do i tell/ can i tell
> from the python objects which is the 1H noe axis and which is the 1H hsqc axis
> nb I have noted that I can tell the direct dimension and indirect dimensions
> in the data model
>
> 2. peakContrib's appear according to the docs to have a keyword value you
> can serach on, but, when I try try to access it as a python object attribute
> there is nothing there how does this work?
>
> 3. the model provides access to attributes by function e.g.
> dataSource.getDataDims() is there any real difference between this form and
> using the relevant python attributes e.g.dataSource.dataDims
>
> 4. when you retrieve a dimContribs from a peak are they garunteed to be in
> the same order as the axes in it's dataSource, as you can navigate
>
> peak->peakContrib->dimContrib->Dim
>
> with dim being an integer presumambly in the data source
>
> regards
> gary
>
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