Hi,
I got the following error when using predict from shifts with an HNCO spectrum:
Exception in Tkinter callback
Traceback (most recent call last):
File "/usr/local/software/ccpnmr/python2.4/lib/python2.4/lib-tk/Tkinter.py", line 1345, in
__call__
return self.func(*args)
File "/usr/local/software/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/EditPeakListsPopup.py",
line 540, in synthesiseFromShifts
progressBar=progressBar)
File "/usr/local/software/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/PeakBasic.py", line 2416,
in makePeakListFromShifts
peak = pickPeak(peakList, position, unit=shiftList.unit)
File "/usr/local/software/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/PeakBasic.py", line 1353,
in pickPeak
setupPeak(peak, doFit=doFit)
File "/usr/local/software/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/PeakBasic.py", line 1546,
in setupPeak
setupPeakFit(peak)
File "/usr/local/software/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/PeakBasic.py", line 1579,
in setupPeakFit
center = peak.cPeak.fitCenter(fitMethod, spectrum.block_file, dimDone)
Peak.error: could not get point: 258 52 257
cheers,
Jo
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