Dear Justin,
I probably got it wrong. I first thought you were talking about the peaks
quality control table in M:Assignment->Quality Reports {Peaks}.
But you are really talking about the 'Peaks: Selected Peaks' popup you get
when pressing [Show Peaks] in M:Assignment->Quality Reports {Resonances},
right? In that case I agree it is a problem. How easy it will be to fix
given the general organisation of Analysis is another matter, which I will
leave to Tim.
Yours,
Rasmus
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Dr. Rasmus H. Fogh Email: [log in to unmask]
Dept. of Biochemistry, University of Cambridge,
80 Tennis Court Road, Cambridge CB2 1GA, UK. FAX (01223)766002
On Fri, 7 Jan 2011, Justin Lecher wrote:
> On 07/01/11 11:31, Rasmus Fogh wrote:
>> Dear Justin,
>>
>> Not sure I agree. The many people who do not use different shift lists
>> much might be rather confused that some peaks were missing. For resonances
>> it is unavoidable - we are checking the shift values, and they are
>> different between shift lists. For peaks I think that all peaks is the
>> correct decision, possible with optional selection on peak lists.
>>
>> What do others think?
>>
>> Yours,
>>
>> Rasmus
>>
>
> Dear Rasmus,
>
> I don't agree with your argumentation. First, if people do not use
> different shiftlist, they will not missing any peaks as they aren't any
> in other shift list. Second, as the "quality Report" only compares
> shifts/peaks inside one shift list, the user should only be interested
> in peaks belonging to that shift list, as all others aren't evaluated in
> that particular "Quality Report". You have to select a different shift
> list to get a report on those.
> An example:
> I am currently fixing up the project. I have assinngment data for
> structure calculation, as well as titrations in that project. The
> quality report says atom X of residue Y has a to big delta. Looking at
> the peak list shows 20 peaks where the shift is in a good range, 15
> shifts with increasing CS due to a titration (those are in different
> shift lists) and two wrongly assigned peaks from a COSY. So those are
> the ones I would like to spot to fix the QA thing. Confusingly the
> titration shifts, with all different values are also there, but of no
> interest for shiftlist 1, which is used for structure calculation. The
> only way to get what I want, is showing the resonace and then getting
> the shift list peaks, which are 20 good + 2 bad.
>
> Thanks justin
> --
> Justin Lecher
> Institute of Complex Systems
> ICS-6 Structural Biochemistry
> Research Centre Juelich
> 52425 Juelich, Germany
> phone: +49 2461 61 2117
>
>
>
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