> 1. When you use type a to get 'Edit assignments' you get a list of
> resonances which you can assign to the peak. Now theses are ranked in
> order of closest match in chemical shift by axis and this (bearing the
> further comment I am about make below) is the correct order. However,
> thother common thing you are likley to do in this box is to create a new
> resonance or spin system and you almost always have to scroll down to
> the bootom of the list to do this as new is last... so shouldn't new
> spin stsem be a button independant of the list?? (I guess i don't feel
> it should be at the top ;-)
The <New> option is only at the top if you specifically sort by shift
difference. If you leave the table as it is the new resonance will be at
the bottom and the others will be in delta order. In this respect top or
bottom is your choice. However, once the delta sort is applied you can't
get back to the original state, which is a problem. A "New resonance"
button is a solution that I'll investigate.
> 2. when you look at the 'Edit assignments' the shifts are ranked by
> resonance separatley whereas for some spectra such as hsqc based spectra
> they should be ranked by spin system. Now obviously this is not true for
> all cases and there has to be a fiddle factor to allow for the
> difference in shift ranges for the different axes and it is not true for
> all spectra but.... maybe it should be an option on the dialog that you
> can turn on and off
Planned, but not imminently. First thing is to get the one-bond resonances
to relate to the one-bond experiment dimensions to automatically link
possibilities. A correlated score will come after this.
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)
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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