OK, just speaking with Tim (!) he says he would like to have a "Set as
Current Peaks" in the Peak Table and then do the "Unite" option of the
right mouse menu, as is done now except that it will work with the current
selected peaks rather than what is under the mouse cursor. I don't think
this is that difficult to do (well, hopefully not, anyway).
Wayne
On Wed, 6 Jun 2012, Seuring Carolin wrote:
> Hi Wayne,
>
> yes, in principle the aim is to select all e.g. 10 ProCa to unite them and not to forget about one, then the next would be all 10 ProCb, 10 ProCg etc. A "unite option" in the peaklist (yes, you understood what I meant) is an option, but showing them as "activated" in the spectrum would be already great. I guess that this "tool" is then more complicated, I mean it won't be available now but maybe in a later version, correct?
>
> Thank you
> Carolin
>
>
> On Jun 6, 2012, at 3:29 PM, Wayne Boucher wrote:
>
>> Hello,
>>
>> We could add the ability to have peaks that are selected in the Peak Table (in the Peak --> Peak Lists dialog) (is this the table you mean?) and make them selected in the spectrum windows (so with a box around them). But in general you wouldn't be able to see then all, which might be a bit disconcerting. But is the reason you want this so that you can then unite the resonances for these peaks? If so it might be better just to put a "unite" (or "align") option in the Peak Table in the first place.
>>
>> Wayne
>>
>> On Wed, 6 Jun 2012, Seuring Carolin wrote:
>>
>>> Hey Wayne, thanks. I know I am bothering...
>>> But concerning :
>>>
>>> "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)."
>>>
>>> I feel this is not so much the answer to the question. Sorry for my bad description. What you say is perfectly true, if I click on the peaks by hand in the spectrum. I have like 800 peaks in the spectrum, so it's really hard to select them by hand! Can I do that as I tried to describe below... somehow from the peakslist menu? That would be favorable as I can see all the peaks directly and don't have to search through the spectrum. So my question is... instead of marking the peaks from this peaklist "MARK SELECTED" is there a way to directly "ACTIVATE THEM" (so that all marked peaks have a square)? I guess, I am not very clear in describing... do you understand what I try to say?
>>>
>>> Carolin
>>>
>>>
>>>
>>> On Jun 6, 2012, at 2:56 PM, Wayne Boucher wrote:
>>>
>>>> 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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