Dear Brian, I completely agree and thank you for your opinion.
I will play around with the tool to see what it does with overlaps.
Thank you
Carolin
On Jun 5, 2012, at 2:12 PM, Brian Smith wrote:
> Surely this is just wrong? Your crosspeaks represent individual
> measurements each of which has associated noise & artefact. The (perhaps
> weighted) average of the peak positions is what you want to use for any
> downstream application such as CSI etc., shift matching peaks etc.. This
> is is calculated and stored for you in the shift lists in analysis. Don't
> waste time fiddling individual peak positions to sanitise (dare I say
> falsify?) your data.
>
> Seuring Carolin <[log in to unmask]> wrote:
>
> Dear Wayne and Tim,
>
> this is pretty much what I was looking for! If I right-click on selected
> peaks and then go to Assign:Unite Resonance the program aligns them (in
> its way).
> In crowded regions (overlap), I would like to influence the average
> position myself - can I?
> For example : Is there away to put this "average value" in a certain list?
> Also, now I selected the resonances in the spectrum - is there a way to
> choose the shifts to be aligned from a peaklist and then align them? Often
> I have 10 peaks of a single residue, e.g. ProCa.
>
> What does the RMM in RMM:Assign:Unite Resonance stand for? I can't find
> Assign in one of the resonance options.
>
> Thank you already very much!!! Your solution makes it already a lot easier
> than before.
> - Carolin
>
>
> On Jun 5, 2012, at 11:49 AM, Wayne Boucher wrote:
>
>> Hello,
>>
>> Tim says:
>>
>> "What Carolin needs is probably RMM:Assign:Unite Resonance Positions
> over the most isolated/representative peak, noting that this will affect
> all the assigned resonances in the spectrum, i.e. so working at the Ha,Hb
> peak will mean that these two resonance positions are spot on and all the
> other peaks assigned to Ha or Hb in the spectrum will be moved to align
> perfectly."
>>
>> Wayne
>>
>> On Mon, 4 Jun 2012, Seuring Carolin wrote:
>>
>>> Hi there,
>>>
>>> I cannot find a solution for how I can change all frequencies of an
> atom in 1 spectrum at once ? In my spectra, 1 atom is often assigned in
> several different peak pairs, e.g. LysCa is found in (1) LysCa-LysCa, (2)
> LysCb-LysCa, (3) LysCa-LysCg... etc. LysCa does not have the exact same
> frequency in all of them, mostly because of overlap or small intensity
> values if I peak it automatically (Shift+Ctrl).
>>> I can change the LysCa frequency by going through the whole peaklist
> and edit the frequencies manually.
>>> Is there a different, faster way?
>>>
>>> I very much appreciate your help!
>>> Thank you !
>>>
>>> Carolin
>>>
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