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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