Dear Gary,
On the general point the right person to ask is Wim - who is back from
holiday next week. In the meantime a minor tip: If you want the correct
ppm position (which may be outside the fudamental region of the spectrum),
you could do:
point2 = self.peakDim.dataDimRef.value2point((self.peakdim.value)
self.ppm.append(self.peakdim.value)
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 Fri, 20 Jul 2007, Gary S. Thompson wrote:
> Dear All (most probably Wim when he comes back from hols)
>
> I have been exporting peaks to nmrDraw via formatConverter. However,
> some of the peaks are aliased and they are being exported at there
> aliased position rather than there un-aliased position. I have tracked
> the problem to
>
> the line self.ppm.append(self.peakDim.dataDimRef.pointToValue(point)) in setPeakFilePeakDimInfo of class NmrDrawFormat
>
>
> the following gives the correct output for me
>
> point2 = point +
> self.peakDim.numAliasing*self.peakDim.dataDimRef.dataDim.numPointsOrig
> self.ppm.append(self.peakDim.dataDimRef.pointToValue(point2))
>
> now i am not saying its a bug as I can understand the behaviour I want
> isn't always the behaviour everyone else wants (for example exporting
> peaks to nmrDraw that are outside the spectral width would also be a
> problem in some cases), but sometimes it is... so it would be nice if
> it was an option
>
>
> regards
> gary
>
> --
> -------------------------------------------------------------------
> Dr Gary Thompson
> Astbury Centre for Structural Molecular Biology,
> University of Leeds, Astbury Building,
> Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024
> email: [log in to unmask] Fax +44-113-2331407
> -------------------------------------------------------------------
>
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