Hello,
Sounds like best if we take a look at that pseudo-3D (since we can't think
why this would be happening). I assume this is not a small file (say < 10
Mb) so if you're happy to send that to us then I'll send some upload
instructions. And also email us the values of the pseudo parameters. (I
think that's all we'll need since we ought to be able to re-create what we
need from this.)
Wayne
On Fri, 27 Jun 2008, Dr Horst Schirra wrote:
> Hi all,
>
> I just noticed some strange behaviour when analysing T1 and T2 spectra
> with analysis:
>
> I'm reading pseudo-3D data in Bruker format, and that works quite well
> except:
>
> 1. I read in a couple of spectra with 16 T1/2 data points - they fit well.
> 2. I read in another T1 spectrum with 8 data points - it fits well
> 3. I read in more spectra with 16 data points - "rates analysis" uses
> only 8 points for fitting and says "Num peaks=8" in the popup - despite
> having correctly picked peaks in all 16 planes of the pseudo-3D! =>???
>
> And the "remove groups" button doesn't do anything either
>
> Any idea what's going on?
>
> Cheers,
>
> Horst Joachim Schirra
>
>
> PS: I've attached the traceback below. Expt_16 4 has 8 data points,
> Expt_17 5 has 16...
>
>
> finished opening spectrum Expt_16 4
> Exception in Tkinter callback
> Traceback (most recent call last):
> File "/usr/lib/python2.3/lib-tk/Tkinter.py", line 1345, in __call__
> return self.func(*args)
> File "/usr/lib/python2.3/lib-tk/Tkinter.py", line 456, in callit
> func(*args)
> File
> "/usr/local/stow/analysis-1.0.14/ccpnmr1.0/python/ccpnmr/analysis/CalcRatesPopup.py",
> line 1057, in update
> self.showFunctionFit(noOpen=True)
> File
> "/usr/local/stow/analysis-1.0.14/ccpnmr1.0/python/ccpnmr/analysis/CalcRatesPopup.py",
> line 466, in showFunctionFit
> graphTitle=title )
> File
> "/usr/local/stow/analysis-1.0.14/ccpnmr1.0/python/ccpnmr/analysis/EditFitGraphPopup.py",
> line 366, in update
> dataFitting = self.getXYfunction(dataFitting)
> File
> "/usr/local/stow/analysis-1.0.14/ccpnmr1.0/python/ccpnmr/analysis/CalcRatesPopup.py",
> line 524, in getPeakSeriesData
> (xData,yData,xWidths,yWidths, refIntensity) =
> getPeakSampledDimIntensities(peaks, expSeries, self.intensityType)
> File
> "/usr/local/stow/analysis-1.0.14/ccpnmr1.0/python/ccpnmr/analysis/DataAnalysisBasic.py",
> line 386, in getPeakSampledDimIntensities
> xVal = pointValues[index]
> IndexError: tuple index out of range
> Warning: Resonance <ccp.nmr.Nmr.Resonance ['T1', 84]> repeated in peak
> groups for T1 list
> finished opening spectrum Expt_17 5
> Exception in Tkinter callback
> Traceback (most recent call last):
> File "/usr/lib/python2.3/lib-tk/Tkinter.py", line 1345, in __call__
> return self.func(*args)
> File
> "/usr/local/stow/analysis-1.0.14/ccpnmr1.0/python/ccpnmr/analysis/CalcRatesPopup.py",
> line 443, in removeGroup
> self.peakGroups.remove(peakGroup)
> ValueError: list.remove(x): x not in list
> Warning: Resonance <ccp.nmr.Nmr.Resonance ['T1', 84]> repeated in peak
> groups for T1 list
>
>
>
>
> ----------------------------------------------------------------
> / Dr. sc. nat. Horst Joachim Schirra Phone: (+61)7/3346-2021 /
> / Queensland Smart State Fellow Fax: (+61)7/3346-2101 /
> / Institute for Molecular Bioscience /
> / University of Queensland email: [log in to unmask] /
> / Brisbane QLD 4072, Australia http://www.uq.edu.au/~uqhschir /
> ----------------------------------------------------------------
>
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