Would that also happen if the experiment was just moved to a new shiftlist?
Cheers
Andy
Wayne Boucher wrote:
> By the way, when I wrote that I had assumed that the problem was that
> there were two peak lists for one spectrum, and that it was desired to
> in effect turn one of them off. If anyone wants to turn off all peak
> lists for a spectrum in the calculation of the shift average then it
> is easier to set the Shift Weighting to 0 in the Experiment -->
> Spectra dialog in the Tolerances tab for that spectrum. (This can be
> done by dimension.)
>
> Wayne
>
> On Wed, 23 Jan 2013, Vicky Higman wrote:
>
>> Great - that should be an easy way to get round this, then.
>>
>> Thanks,
>>
>> Vicky
>>
>>
>> On 23/01/13 09:35, Wayne Boucher wrote:
>>> Hello,
>>>
>>> Good question. The way I am reading the code, the averaging indeed
>>> does not care if the peak list is active or not. But if you set the
>>> figure of merit to 0 for all the peaks in that peak list then they
>>> should not be used in the shift average. Fortunately there is a
>>> Propagate Merit button at the bottom of the Peak Table tab so
>>> setting them all to 0 should not be too painful.
>>>
>>> Wayne
>>>
>>> On Wed, 23 Jan 2013, Vicky Higman wrote:
>>>
>>>> Hi,
>>>>
>>>> does Analysis average its chemical shifts across all peak lists,
>>>> regardless of whether they are active or not? It seems to me that
>>>> this is the case. But it means that when I have peak lists that
>>>> have been saved into the project by ARIA, I am then adding peaks
>>>> with (potentially incorrect) assignments to my chemical shift list.
>>>> However, if I find a mistake, I don't want to have to change the
>>>> assignment of peaks in every peak list, but just those in my active
>>>> "master peak list".
>>>>
>>>> Is there an easy way in which I can stop a whole peak list from
>>>> contributing to the chemical shifts in my chemical shift list?
>>>>
>>>> Thanks,
>>>>
>>>> Vicky
>>>>
>>>> --
>>>> ************************************************
>>>> Dr. Victoria A. Higman-Davies
>>>>
>>>> School of Chemistry
>>>> University of Bristol
>>>> Cantock's Close
>>>> Bristol BS8 1TS
>>>> U.K.
>>>>
>>>> E-mail: [log in to unmask]
>>>> (or [log in to unmask])
>>>>
>>>> http://www.protein-nmr.org.uk
>>>> ************************************************
>>>>
>>
>>
>> --
>> ************************************************
>> Dr. Victoria A. Higman-Davies
>>
>> School of Chemistry
>> University of Bristol
>> Cantock's Close
>> Bristol BS8 1TS
>> U.K.
>>
>> E-mail: [log in to unmask]
>> (or [log in to unmask])
>>
>> http://www.protein-nmr.org.uk
>> ************************************************
>>
>
--
Dr Andy Herbert
Department of Chemistry
University of Edinburgh
West Mains Road
Edinburgh
UK
EH9 3JJ
Tel: +44 (0)131 650 4704 or 650 4792
Email: [log in to unmask]
The University of Edinburgh is a charitable body, registered in
Scotland, with registration number SC005336.
|