Hi
When this happens to me, I go into Edit Experiments and then move each experiment (or at least the offending experiment) into a new shift list and then move it back into the original shiftlists, this remedies the problem,
Also, this is the link to the proper solution
http://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind0610&L=CCPNMR&D=0&I=-3&P=6517
Both work well.
I still never managed to pin down what I do to cause the problem in the first place tho, I did it again the other day. I dont know if anyone else figured out what causes it?
Cheers
Ben
-----Original Message-----
From: CcpNmr software mailing list on behalf of Roberto Kopke Salinas
Sent: Wed 23/05/2007 11:31 PM
To: [log in to unmask]
Subject: resonance assignment and peak assignments dont fit
Dear All,
I noticed suddenly that in some cases the resonance assignment does not fit
with the peak positions in the spectra. That has never been the case
before....!
For example, the resonance assignment for atom 61Hba in the Browse Resonances
menu (shiftlist 1) is shift = 1.415 and SD = 0.512.
However when I click on "Show total peaks" to see from where the large
deviation is comming from, all peaks show F1 or F2 shifts within 1.065 to
1.088 for the same atom.
And this problem is happening for other atoms as well.
How does analysis calculate the shifts in the browse resonances menu? Does
anyone have a clue why this is happening? I thought that I might have a wrong
assignment in some peak list, or making some silly mistake....
How could I do in order to restore my correct assignments??
roberto
--
Roberto Kopke Salinas
Instituto de Química
Universidade de São Paulo
Av Prof Lineu Prestes 748
05508-900 São Paulo SP Brasil
Tel: #55-11-3091-3312 r. 110
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