> I was looking for a way to check what was happening to NOESY peaks
> that I had marked with a low figure of merit in the Shift Match Distance
> Constraints popup and noticed that the Shift Match Report figures in View
> Peak Groups could be refined. Currently peaks with a figure of merit
> below the threshold are tossed out unceremoniously without being counted
> so they appear in the the total of peaks that is shift matched (even
> though they're not - see maths for l5 in testShiftMatch) and are missing
> from the total reported as excluded.
>
> It might be handy to have an additional button to list the peaks
> that are excluded on figure of merit grounds and if the counting were
> fixed then then the number of constraints generated would match the number
> of crosspeaks really shift matched.
A new 'Poor Merit' category is now included for next update. - Appears as
a button and in the stats.
> PS I notice that the buttons of ViewPeakGroupsPopup still popup the last
> peak selection viewed rather than an empty table or a warning if the
> number of peaks in their group=0.
Now fixed. Gives an empty table.
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 766018 (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
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