Hi,
Ok, it's good to know it'll be added in. Yes that is what I meant by
sister list - I tried the additional shift list separately but also
failed. What I wanted was almost satisfied by the sister peak list (peak >
peak list > ..add sister list) as it enabled be to colour the peak crosses
differently, be able to turn them on and off from the tool bar and be able
to see, and filter, them separately in the peak list table. The problem
came when trying to do this for all my peaks. I initially tested it by
manually picking two peaks, initialising and then assigning them. I then
added a sister peak list, copied the peaks across and deleted opposing
peaks from the different lists.
However when I then picked the rest of the HSQC peaks I realised I was
unable to change their peak lists any other way then the 'en masse' copy
button. To do this for for the HSQC wouldn't be too bad, but ~1000 peaks
linked across 7 spectra would take an extremely long time by first
picking, assigning and copying them all over followed by manually checking
the copied peak tables against multiple spectra. I'd just wondered if
another method existed such as an editable box per cross-peak or something
during the actual picking or assigning of the peaks.
I'll try the mol system way though and see how I get on.
Thanks,
James
> Hello,
>
> Tim says that dealing with different conformers is on the TODO list but
> for now he recommends using two different molSystems rather than (say) two
> different experiments. If by "sister" peak list you mean belonging to the
> same spectrum and hence the same experiment then they would have the same
> shift list, since a given experiment is associated with only one shift
> list. But maybe you do not mean that by "sister". Anyway, you can use
> the Assignment --> Copy Assignments dialog to copy assignments over, or
> also right-mouse-click on a window with Assign --> Propagate assignments.
> Is that what you meant?
>
> Wayne
>
> On Mon, 29 Mar 2010, James Tolchard wrote:
>
>> Hi all,
>>
>> I'm currently trying to analyse a project comprising multiple 2D and 3D
>> experiments where there are 2 conformers present and which (on the
>> whole)
>> have distinguishable peaks. I have been trying to sort the peaks into
>> "major" and "minor" groups so that I can manipulate the displays and
>> facilitate the assignments when I've peak picked throughout all my
>> spectra, however this is proving difficult.
>>
>> I have tried to do this by creating sister peak lists for each
>> experiment
>> and by creating separate shift lists but I can't seem make the peak
>> picking and the assigning of peaks to a group/list a smooth process. Is
>> there an easy way to do this? Also, is it possible to assign a peak to a
>> shift/sister list after it has been assigned to one already?
>>
>>
>> Thanks,
>>
>> James
>>
>
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