I'm intending on putting it in the next release, which we were hoping
would go out next week. Having said that, my Mac has developed a nasty
habit of intermittently going to sleep, so it probably needs to go back to
its maker, which means I'm probably going to be wasting time trying to
find another computer and getting all the software installed on it. So
we'll see how soon that release can be.
Wayne
On Fri, 16 Jun 2006, igor barsukov wrote:
> Hi Wayne,
>
> The second alternative is currently not very important for us as we
> don't use the sign-flip folding to avoid accidental cancellation of
> peaks. It would be good to implement for a completion.
> However, we already have several 4D spectra that needs to be analysed
> and are very keen to have the same-sign "circular" option for peak
> picking. Since you said that this option was intended to be implemented
> and is not too difficult to add, is there any chance to have it in the
> near future?
>
> Cheers
> Igor
>
> Wayne Boucher wrote:
> > Yes, it's not implemented currently but that is by mistake rather than by
> > intent! It should not be difficult to add that in (but more work to add
> > that second alternative in).
> >
> > Wayne
> >
> > On Fri, 16 Jun 2006, igor barsukov wrote:
> >
> >
> >> Hi Wayne,
> >>
> >> This is exactly the right description. But are you saying that the
> >> "circular" pick peaking is not currently implemented? If not, are there
> >> any plans to add the option? It would be extremely useful for the folded
> >> spectra and, I guess, not too difficult to implement the way you
> >> described it. In NMRView there is also an option for an opposite sign
> >> match across the edge to take into account a sign flip for certain
> >> folding modes. In this case you need to consider x[1] > x[2] and x[1] >-
> >> x[N].
> >>
> >> Cheers
> >> Igor
> >>
> >> Wayne Boucher wrote:
> >>
> >>> Hello,
> >>>
> >>> I think this is the edge effect, since my guess is currently that for row
> >>> N it is only checking for maximality against row N-1 and not also against
> >>> row 1 (which it should be, using circularity). (N = number of points in
> >>> given dimension.) So we should be checking whether
> >>>
> >>> x[N] > x[N-1] and x[N] > x[1]
> >>>
> >>> (well, that's with the Fortran/Nmr convention where points go from 1 to N
> >>> and not from 0 to N-1), and I think only the first is being checked.
> >>> And similarly at the other edge, we should be checking whether
> >>>
> >>> x[1] > x[2] and x[1] > x[N]
> >>>
> >>> If both conditions are checked then you should only get one peak, not two,
> >>> on the edge.
> >>>
> >>> Wayne
> >>>
> >>> On Fri, 16 Jun 2006, Ben Goult wrote:
> >>>
> >>>
> >>>
> >>>> Hi
> >>>>
> >>>> The tiling method is a bit problematic, as the current 4D spectra I am
> >>>> looking at is 3 times folded in 2 of the dimensions, therefore when I use
> >>>> the tiling I end up with 9x as many peaks which Analysis seems to struggle
> >>>> to handle.
> >>>>
> >>>> So ideally I want to be able to try a different approach and only pick the
> >>>> peaks in the folded spectrum (without unfolding it), and to do this
> >>>> properly it would be nice if analysis would look for the real maxima of
> >>>> peaks on the edge of the spectrum (which ever side it may be on). Is this
> >>>> possible?
> >>>>
> >>>> I think this is a separate issue to the tiling error.
> >>>>
> >>>> Cheers
> >>>>
> >>>> Ben
> >>>>
> >>>>
> >>>>
> >> --
> >> Dr. Igor Barsukov
> >>
> >> Biological NMR Centre,
> >> University of Leicester
> >> PO Box 138,
> >> University Road,
> >> Henry Wellcome Building,
> >> Leicester LE1 9HN
> >> UK
> >> E-mail: [log in to unmask]
> >> Tel: +44 (0)116 229 7098
> >> FAX: +44 (0)116 229 7053
> >>
> >>
>
>
> --
> Dr. Igor Barsukov
>
> Biological NMR Centre,
> University of Leicester
> PO Box 138,
> University Road,
> Henry Wellcome Building,
> Leicester LE1 9HN
> UK
> E-mail: [log in to unmask]
> Tel: +44 (0)116 229 7098
> FAX: +44 (0)116 229 7053
>
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