Hello,
Some answers below.
On Wed, 6 Jun 2012, Seuring Carolin wrote:
> Hi Wayne,
> thank you as well for the details... I am happy with the "unify peaks" option.
> still I have 2 more questions.
>
>
> Currently I have around 20 spectra in the project, if I want to align
> the peaks in 1 of them, I would set this to 1 and all others to 0.1. Or
> is there a difference between a 10 : 1 ratio and a 1 : 0.1 ratio?
>
10:1 is the same as 1:0.1, so it's just the relative scale that matters.
(And obviously the spectra with less overlap and better resolution should
have a higher weight.)
>>
>
> I was rather wondering if there is an option in the resonance table that
> can "activate the peaks". For example, currently in e.g. the peaklist
> one can click on a peak and say "Mark selected", so two lines appear and
> cross at the peak position. I think for the "unify resonance option" it
> would be great to have an option that (1) you select a bunch of peaks of
> 1 atom in the same amino acid (e.g. 6 ProCa), then (2) you can say
> "activate the peaks" (they all get a square around the cross and are RMM
> active) in the spectrum, (3) you go back to the spectrum and say
> RMM:Assign:Unify peaks. Since this is much easier than going through the
> spectrum and selecting all the peaks of interest by hand. Is there
> already a way to do that?
>
Tim says this should be possible (i.e. to unite on all the selected
peaks), if nobody else objects (it would warn you if you have selected
more than one).
>>
>
> That works well actually. But also... in solid-state spectra there are
> tiny shifts between spectra as you cannot 100% control the temperature.
> So one needs to center them or go through and check. Anyhow, I really
> like this option, too. In the combination with unify resonances its even
> better!
>
>>
Wayne
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