> Assignments -> Resonances popup seems to be showing me (very)
> wrong shifts (like 110 for a 1H etc.) with preexisting projects. I can't
> quite work out what's going on as I don't seem to be able to discover the
> relationship between the real shifts and the calculated ones (the correct
> crosspeaks seem to be associated with each resonance). Also if I create a
> new project (tried once) or open an preexisting project with just 2D data
> sets (tried once) the shifts seem to be OK.
This is not a serious problem in that it is just this one display that is
messed up not the actual shift values. All assignment etc is still OK.
To fix in BrowseResonancesPopup.py in update() insert a line above the
'continue' statement so that it becomes:
if resonance.isotope is None:
i += 1
continue
Otherwise fixed for release.
The problem occurs in some projects but not others because in the past
some resonance.isotopeCode attributes have been set to 'unknown', which
can't currently occur in Analysis (although it is valid in the Data
Model). For the next release I will add the Isotope option 'unknown' to
the BrowseResonancePopup.
Tim
-------------------------------------------------------------------------------
Dr Tim Stevens Email: [log in to unmask]
Department of Biochemistry [log in to unmask]
University of Cambridge Phone: +44 1223 766022 (office)
80 Tennis Court Road +44 7816 338275 (mobile)
Old Addenbrooke's Site +44 1223 364613 (home)
Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23
United Kingdom http://www.pantonia.co.uk
-------------------------------------------------------------------------------
------ +NH3CH(CH(CH3)OH)C(O)NHCH(CH(CH3)CH2CH3)C(O)NHCH(CH2CH2SCH3)CO2- -------
-------------------------------------------------------------------------------
|