Hi,
We have observed that in a case where we have e.g. Val Cga & b,
Hga* + Hgb* assigned in separate spectra, but not in any single spectrum
that resolves which set of protons is "onebond"ed to each carbon, and they
all have distinct chemical shifts....then the assign dialogue does not
offer either pair as possible contributors when the "correlated Dims"
button is checked.
Actually this is very logical, but also counter-intuitive when you think
you have the things assigned. It also feeds through to the "Shift Match
Distance Constraints" popup too, with crosspeaks showing up as
unmatchable. I guess handling these cases will add another layer of
complexity to the assignment logic, but is perhaps another good candidate
for checking in any QA module.
--
Dr. Brian O. Smith ---------------------- B Smith at bio gla ac uk
Division of Biochemistry & Molecular Biology,
Institute Biomedical & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459/3089 Fax: 0141 330 8640
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