Hey Wayne,
we don't need two gigs of spectrum to reproduce this, it happens with missing
3rrr too. And it has nothing to do with my particular project. Just click
into Window 1 in the attached testp and see the F3 1.000 peaks appearing.
Scroll above 1 ppm in z and it doesn't happen.
Good luck!
Tolga
Am Donnerstag, 12. August 2010 schrieb Wayne Boucher:
> Hello,
>
> Is it plane 1?? (If you happen to know.) I assume that the real ppm value
> is some number not with .000 at the end. So this sounds suspiciously like
> it thinks that z dimension is "sampled" (i.e. the z in a pseudo3D) rather
> than frequency. But that would only tally if it happened to be plane 1
> that the peak was actually in. (Well, unless some other error was making
> it be this by mistake.)
>
> I did a diff with the files that I think can have an impact on peak
> picking between the February version and the last 2.1.3 and I couldn't see
> anything that would have affected this except possibly something to do
> with being confused between what is a sampled and a frequency dimension.
>
> It might be worth me taking a look at the project, but unfortunately I'd
> also need that one spectrum, which I assume is huge. I have a dropbox so
> if you do as well then that would be one way to transfer files.
>
> Wayne
>
> On Thu, 12 Aug 2010, Tolga Helmbrecht wrote:
> > Hello,
> >
> > peak picking by clicking in a window with proton and carbon axes (in this
> > case) makes a peak with a 1.000 ppm proton value in the z-dimension. A
> > H-H window with carbon as z picks as expected.
> > This behaviour does not happen with a 26th of June backup of the source
> > tree, so was introduced with July updates.
> >
> > Regards
> >
> >
> > --
> > Tolga Helmbrecht
> >
> > Leibniz-Institut für Molekulare Pharmakologie (FMP)
> > Abt. NMR-unterstützte Strukturforschung
> > AG Solution NMR
> > Robert-Roessle-Str. 10
> > 13125 Berlin
> > Germany
> >
> > Tel. +49-30-94793-231
> > Fax +49-30-94793-230
> > Web http://www.fmp-berlin.de/solutionnmr.html
> > E-Mail [log in to unmask]
tolga@cordelia:/opt/ccpnmr_v21/ccpnmr2.1_already_broken$ ls -l /homes/hlmbrcht/analysis_dist/analysis_v21_src_100625140618.tar.bz2
-rw-r--r-- 1 hlmbrcht nisuser 13941713 2010-06-25 14:07 /homes/hlmbrcht/analysis_dist/analysis_v21_src_100625140618.tar.bz2
tolga@cordelia:/opt/ccpnmr_v21/ccpnmr2.1_already_broken$ LANG=en_GB.UTF-8 find . \( -name '*.pyo' -o -name 'update' \) -prune -o -name '*.py*' -cnewer /homes/hlmbrcht/analysis_dist/analysis_v21_src_100625140618.tar.bz2 -printf '%c %p\n' | sort -M
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/Analysis.py
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/Analysis.py__old
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/core/AssignmentBasic.py
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/core/AssignmentBasic.py__old
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/core/DataAnalysisBasic.py
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/core/DataAnalysisBasic.py__old
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/core/ExperimentBasic.py
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/core/ExperimentBasic.py__old
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/core/MoleculeBasic.py
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/core/MoleculeBasic.py__old
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/core/PrintBasic.py
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/core/PrintBasic.py__old
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/frames/PeakTableFrame.py
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/frames/PeakTableFrame.py__old
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/frames/WindowFrame.py
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/frames/WindowFrame.py__old
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/popups/CalcDistConstraints.py
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/popups/CalcDistConstraints.py__old
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/popups/GetCenterCoords.py
Fri Jun 25 14:08:36 2010 ./python/ccpnmr/analysis/popups/GetCenterCoords.py__old
Fri Jun 25 14:08:36 2010 ./python/memops/editor/SaveProjectFrame.py
Fri Jun 25 14:08:36 2010 ./python/memops/editor/SaveProjectFrame.py__old
Fri Jun 25 14:08:36 2010 ./python/memops/general/Io.py
Fri Jun 25 14:08:36 2010 ./python/memops/general/Io.py__old
Fri Jun 25 14:08:36 2010 ./python/memops/gui/Util.py
Fri Jun 25 14:08:36 2010 ./python/memops/gui/Util.py__old
Fri Jun 25 14:08:37 2010 ./python/ccp/gui/Io.py
Fri Jun 25 14:08:37 2010 ./python/ccp/gui/Io.py__old
Fri Jun 25 14:08:37 2010 ./python/ccp/gui/ViewChemCompVarFrame.py
Fri Jun 25 14:08:37 2010 ./python/ccp/gui/ViewChemCompVarFrame.py__old
Fri Jun 25 14:08:37 2010 ./python/ccp/gui/ViewStructureFrame.py
Fri Jun 25 14:08:37 2010 ./python/ccp/gui/ViewStructureFrame.py__old
Fri Jun 25 14:08:37 2010 ./python/ccpnmr/analysis/core/StructureBasic.py
Fri Jun 25 14:08:37 2010 ./python/ccpnmr/analysis/core/StructureBasic.py__old
Fri Jun 25 14:08:37 2010 ./python/ccpnmr/analysis/popups/ViewChemicalShifts.py
Fri Jun 25 14:08:37 2010 ./python/ccpnmr/analysis/popups/ViewChemicalShifts.py__old
Fri Jun 25 14:08:37 2010 ./python/ccpnmr/analysis/popups/WindowPopup.py
Fri Jun 25 14:08:37 2010 ./python/ccpnmr/analysis/popups/WindowPopup.py__old
Fri Jun 25 14:08:37 2010 ./python/ccp/util/Validation.py
Fri Jun 25 14:08:37 2010 ./python/ccp/util/Validation.py__old
Fri Jun 25 14:08:37 2010 ./python/memops/gui/FileSelect.py
Fri Jun 25 14:08:37 2010 ./python/memops/gui/FileSelect.py__old
Fri Jun 25 14:31:33 2010 ./python/memops/gui/ScrolledWindow.py.orinew
Wed Jul 28 20:53:49 2010 ./python/ccpnmr/analysis/core/WindowDraw.py
Wed Jul 28 20:53:49 2010 ./python/ccpnmr/analysis/core/WindowDraw.py__old
Wed Jul 28 20:53:49 2010 ./python/ccpnmr/analysis/popups/CalcShiftDifference.py
Wed Jul 28 20:53:49 2010 ./python/ccpnmr/analysis/popups/CalcShiftDifference.py__old
Wed Jul 28 20:53:49 2010 ./python/ccpnmr/analysis/popups/EditAssignment.py
Wed Jul 28 20:53:49 2010 ./python/ccpnmr/analysis/popups/EditAssignment.py__old
Wed Jul 28 20:53:49 2010 ./python/ccpnmr/analysis/popups/EditExperiment.py
Wed Jul 28 20:53:49 2010 ./python/ccpnmr/analysis/popups/EditExperiment.py__old
Wed Jul 28 20:53:49 2010 ./python/ccpnmr/analysis/popups/SecStructureGraph.py
Wed Jul 28 20:53:49 2010 ./python/ccpnmr/analysis/popups/SecStructureGraph.py__old
Wed Jul 28 20:53:49 2010 ./python/memops/gui/MultiWidget.py
Wed Jul 28 20:53:49 2010 ./python/memops/gui/MultiWidget.py__old
Wed Jul 28 20:53:49 2010 ./python/memops/gui/ScrolledWindow.py__old
Wed Jul 28 22:13:45 2010 ./python/memops/gui/ScrolledWindow.py.edit.old
Wed Jul 28 22:13:54 2010 ./python/memops/gui/ScrolledWindow.py.ori
Wed Jul 28 22:14:34 2010 ./python/memops/gui/ScrolledWindow.py
Wed Jul 28 22:14:34 2010 ./python/memops/gui/ScrolledWindow.py~
Wed Jul 28 22:14:44 2010 ./python/memops/gui/ScrolledWindow.py.edit
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