Well, at this stage I do not really expect a perfect treatment of the DQ. But
is it at all possible to load a DQ spectrum, using the DQ experiment
prototype? As I said, that experiment type is not actually listed when I open
the spectrum and have to select the experiment type. Does this mean that
currently one can create DQ spectrum types but not actually use them?
Of course, I could load it as a regular C-C spectrum, and just not assign the
DQ axis, as an alternative, but I was hoping that this was somehow supported
since the MQ measurement was included.
Patrick
On Friday 13 April 2007 11:33, [log in to unmask] wrote:
> Dear Patrick,
>
> Curerntly Analysis is not supporting DQ experiments properly. Fixing this
> is on the TODO list, but not at the top right now. Clealy putting DQ
> magnetisation on the axes will need special handling for both assignment
> (more components to assign) and display (wht kind of axis is this).
>
> Apart from missing special support the problem is, as you said, that you
> cannot see from the sepctra that this is a DQ. All programs we know give a
> fake single nucleus, some mmight even give '1H' for a 13C-13C DQ. We do not
> know a good way to identify a DQ from spectral parameters.
>
> How much one could hack with the current set-up might depend on exactly
> what spectrum you have.
>
> Sorry not to ahve better news,
>
> Rasmus
>
> On Apr 13 2007, Patrick van der Wel wrote:
> > > You can create such an experiment. The only example currently is the
> > > 2D H-H DQ experiment (H[DQ(HH)]), you could use that as a template. In
> > > general you would have to create an AtomSite for each nucleus, and then
> > > crate an ExpMeasurement for the MQ magnetisation that points to the
> > > AtomSites. Try and see how it goes. If you get stuck, you could send me
> > > a desdription of the experiment and I could have a go.
> >
> > I somehow overlooked that one. I now examined it and found that it does
> > look more or less like what I ended up with started from scratch.
> >
> > This leads me to believe that the reason that the SQDQ experiment is not
> > offered as an option when I open such a spectrum is because Analysis
> > expects the indirect dimension to be somehow marked as DQ. Is this
> > correct? If so, what 'label' does it expect? Does this require an Azara
> > spectrum?
> >
> > > Currenmtly there is no support for project-specific NmrExpPrototypes.
> > > In the neww amchinery (coming Real Soon Now) thyere will be. Meanwhile
> > > you will have to modify the reference data. For which reason, I would
> > > be happy to get your experiment prototypes, once you have finished with
> > > them, so I can add them to the official reference data.
> >
> > Ok. I will let you know if I get it to work. :)
> >
> > > If tehre are things that are particularly difficult or badly
> > > doeumented, could you make anote, so I can see what needs improving?
> >
> > In the end it seems that I got it right. The main thing that could be
> > useful is a page that ties together the different help pages (for each
> > dialog) in some sort of 'how-to' describing the typical process. The
> > exact role of the various components is not completely apparent, based on
> > their names (e.g. RefExpDimRefs). At this point the best way to figure
> > this out is to examine the existing cases.
> >
> > Patrick
> >
> > > Yours,
> > >
> > > Rasmus
> > >
> > > On Apr 12 2007, Patrick van der Wel wrote:
> > > > Hello,
> > > >
> > > > I have a question regarding the generation of experiment prototypes.
> > > > I was looking into the available prototypes and trying to create a
> > > > new one for some solid state experiment(s). There appears to be at
> > > > least partial support for multiple quantum dimensions, but I could
> > > > not figure out how to implement this. Can one create an experiment
> > > > with for instance a double quantum indirect dimension that reflects
> > > > the combined frequencies of two nuclei?
> > > >
> > > > Also, when a new experiment prototype is generated, is that project
> > > > specific? I was wondering this since the 'editable' setting is in the
> > > > project 'save as' dialog, as Wayne indicated earlier. Can you tell
> > > > analysis to store a project-specific list of experiments rather than
> > > > the system wide one?
> > > >
> > > > Patrick
--
Patrick C.A. van der Wel, Ph.D.
Francis Bitter Magnet Lab
Massachusetts Institute of Technology
Bldg NW14; room 4115
170 Albany St.
Cambridge MA, 02139 (USA)
phone 617-253-7922; fax 617-253-5405
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