> When I opened a series of spectra that were all part of the same
> experiment (2D slices in a buildup curve, as well as reference 2Ds), I
> tried to use the 'Propagate Type' button in the 'Open Spectrum' window.
> So, after specifying the first experiment, and selecting all of them, I
> clicked the button. That did not appear to do anything, but when I
> clicked the 2nd spectrum's Category field, it suddenly filled in all of
> them. I am guessing this might not be the way it is supposed to work?
Ah. I think the propagate worked, but a call to the table update is
missing. I will attempt to fix...
> Another question/comment: Such a series of 2Ds, with a buildup curve and
> reference data, would seem to logically constitute a single 'experiment'
> as described in the CCPNMR documentation. However, when I tried to use
> it as such before I remember have trouble treating it as such - I
> believe especially in the rates analysis window. Is there at this point
> any reason to put multiple spectra in a single experiment, which seemed
> to be the intention of the data model?
Multiple spectra in an experiment, as far as the data model is concerned,
are for diferently processed views of the data that resulted from a
given experiment. The difference with your series of 2D spectra is that
they are either planes of a 3D (with a non frequency axis) or separate
2Ds, which differ in an experimental parameter. As they contain separate
data they are not different 'views' of a 2D experiment. But they could
form a pseudo-3D...
> Also, what would be the best way to analyze such a data set? As a single
> quasi-3D? But I believe that would not (yet?) work with nmrpipe data -
> since there would be one non-frequency dimension. It would be nice to be
> able to somehow 'group' such datasets together in way that they could be
> 'collapsed' together.
Pseudo-3D experiments, with a 'sampled' data dimension can work in
Analysis. They appear as a single experiment from which you can do rate
analyses etc. However, we only know how to work with AZARA processed data.
If you send us (myself and Wayne) some pseudo-3D NMRPipe data to work with
we will get it working for you. Alternatively you could process with AZARA.
T.
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Dr Tim Stevens Email: [log in to unmask]
Department of Biochemistry [log in to unmask]
University of Cambridge Phone: +44 1223 766018 (office)
80 Tennis Court Road +44 7816 338275 (mobile)
Old Addenbrooke's Site +44 1223 364613 (home)
Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23
United Kingdom http://www.pantonia.co.uk
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