Thanks Ben for your reply.
>Group Peaks for me does not ignore manual assignments either.
>Have you got a seperate shift list for each experiment?
Well, Group Peaks does not pick up all the assigned peaks for me (using the
default error/grad/isotope parameters).
Yes, each experiment is assigned to a separate shift list and all peaks
are present in each of these lists (minus a very few peaks that disappear
during the titration).
Yet despite this, out of about 96 peaks, 19 are not detected AT ALL by the
'group peaks' routine ('num peaks' = 0), even though I verified that they
are assigned for all spectra and definitely *are* listed in each separate
shift list.
If I select one of these 'empty' groups in the 'Follow Shift Changes' window:
- 'Remove Groups' and 'Fit selected' have no effect
- 'Show Fit Graph' shows the graph of the last selected 'assigned' group
(num peaks > 0)
- "Show Peaks" opens a blank peak list window.
Cheers,
Martin
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