Hmm, yes, this does sound like what I wanted to do, but it sounds like it is
quicker and easier to just reload the spectrum (unless it has a lot of
assignments included already).
Patrick
On Tuesday 22 May 2007 07:35, Wayne Boucher wrote:
> Hello,
>
> The "Update File Details" button definitely only changes the internal
> information, it doesn't go back to the disk again. And for both Bruker
> and Azara formats that would mean having to go back to the header files,
> which currently are not even stored. For the other formats the header is
> part of the data file so one could imagine re-opening them.
>
> If the data on disk has changed (say) its number of points in some
> dimension then you should be able to change that. But there are two
> "number of points" in the data model. There is the original number of
> points after Fourier transform but before 'extracting' the region of
> interest, and there is the number of points in that region, which is the
> number of points of the data file on disk. The latter is specified in the
> "Edit Spectrum File Details" dialog. The former is specified in the "Edit
> Spectrum Referencing" dialog. (For those who don't know, both these
> dialogs are reachable from the "Edit Spectrum" dialog, via the buttons at
> the bottom.)
>
> In addition, there is a "point offset" column in the "Edit Spectrum
> Referencing" dialog. This is in case your 'extraction' does not start at
> point 1.
>
> As an example, say you have 512 points after Fourier transform, and what
> to keep only points 301 to 500 inclusive. (And not that points start at
> 1, not 0.) Then the original number of points is 512, the number of
> points is 500-301+1=200 and the point offset is 301-1=300.
>
> When you change these values inside Analysis you might get some drawing
> errors as the program tries to catch up with the new values.
>
> There is an option in the "Edit Spectrum Referencing" dialog but not the
> "Edit File Details" one to keep the peak ppm values the same, rather than
> the peak positions. (I just tried it and it didn't seem to work though,
> so I'll have to look into that.) It sounds like this is the kind of thing
> you want.
>
> Wayne
>
> On Mon, 21 May 2007, Patrick van der Wel wrote:
> > Hello,
> >
> > I was wondering if there is currently a work-around for having analysis
> > deal with existing spectra in a project that one ends up re-processing.
> > For example, changing the zero-filling or in the end deciding to
> > 'extract' the region with the peaks from a larger (largely empty?)
> > spectrum (in order to save disk space, for instance).
> >
> > I tried this already a little bit, by re-opening the project, which did
> > not work so well. I also tried using the File Details popup from the
> > Spectrum listing, along with the Update File Details button. This also
> > did not help.
> >
> > It would be nice if it were possible to allow something like this, where
> > analysis would have to reposition the peaks to the same ppm values and
> > update the axis scales etc. (Of course, it is probably tricky to make
> > this completely general and fool proof :)
> >
> > By the way, my guess is that the 'Update File Details' button is mostly
> > to manually change some settings within Analysis. It would be nice if the
> > above could be implemented as a button that would force analysis to
> > re-read the file parameters from disk.
> >
> > Aside from this, it would already be nice if one could just revert back
> > to the original referencing setting from the file, through some command
> > or option. (In order to undo operations such as 're-reference to peak'
> > etc)
> >
> > 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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