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Dear Tim and Wayne,

The problem has now been solved and all the reds have gone. Thank you very much.

Kaeko

________________________________________
From: CcpNmr software mailing list [[log in to unmask]] On Behalf Of Wayne Boucher [[log in to unmask]]
Sent: 05 March 2009 07:53
To: [log in to unmask]
Subject: Re: unable to get rid of reds in quality report

Hello,

Tim says:

Bug. Hopefully now fixed. I found a missing loop. Needed to check all
atoms of equivalent (non-prochiral) atom sets , e.g. Phe Cd1,Cd2 vs
Ce1,Ce2 - sometimes the Cd1-Ce1 was being missed because only Cd1 & Ce2
was checked.

Wayne

On Tue, 3 Mar 2009, Tozawa, Kaeko wrote:

> Hello,
>
> I sometimes look Assignment:Quality Reports to check things are ok and it's very useful as I can find misassignments by my carelessness or very stupid mistakes...
> When I find 'reds' in the Bound column I look for the problem and correct the wrong assignment, then go back to the quality report table, refresh table and normally the reds dissapear. But now I am unable to get rid of some 'reds' after I clear contribution of the atom or even delete the peaks completely. If I delete the peak, 'Show Peaks' button does not work as no peak exists yet the red rows remain with some values. All of these are from Phe sidechains;
> PheCd*-Phe[Ce*,Hd*], PheCe*-Phe[Cd*,Cz,He*], PheHd*-PheCd* and PheHe*-PheCe*.
>
> I wonder if I am doing something wrong? Will it cause any problem later if I leave it? Your advice is appreciated. Thank you.
>
> Kaeko