> I recently exported all my resonance (complete list from 15N-HSQC and
> triple resonance experiments). When I processed the data and grouped
> them for each HSQC peak, I find 50% of them have been duplicated
> exactly for all the experiments. Just the spin system number changes.
> It is mostly an anonymous assignment (connections established for i
> and i-1) except for about a tenth of the sequence. The duplications
> range from exact duplication to many copies, but all with unique spin
> system numbers
How many of these extra resonances are orphaned (i.e. not connected to any
peaks)?
> When I initially started on this project, I initialised the HSQC
> using the in-built macro. It selected a lot of peaks which I deleted
> because they were not appropriate. I didn't delete the resonance.
For info, the macro selects all the peaks you have picked because it has
no idea which ones are appropriate.
If you delete initialised HQSC peaks the resonances will be orphaned.
These can be easily cleaned up in the Resonance Browser.
> Could this cause analysis to link the resonance to appropriate and
> corresponding experiments and causing it to appear like duplications?
> WHy does these automatic connections occur, if I am right?
I don't understand which connections you are referring to.
The only connections that commonly link experiments to resonances are
those that go via an assigned peak, so this would not occur if your extra
resonances are orphans.
However, if you obtain resonances from a shift list then this will contain
all resonances that have even been associated with any of the experiments
(via peaks) under that shift list. This includes orphaned resonances that
you are no longer using.
Analysis does not automatically delete orphaned resonances because it
doesn't know whether you intend to use them again.
T.
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Dr Tim Stevens Email: [log in to unmask]
Department of Biochemistry [log in to unmask]
University of Cambridge Phone: +44 1223 766022 (office)
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