Print

Print


OK, I've added a "Predict Peaks" feature in 2.3.1.  The one caveat is that when I tried it on a peak in a 3D spectrum the simulated peaks ended up in the next plane along (just because the shift wasn't quite the plane that was showing), so weren't visible, which was confusing.

Wayne

On 29 Jan 2014, at 15:33, Justin Lecher wrote:

> On 29/01/14 16:28, Wayne Boucher wrote:
>> Hello,
>> 
>> You mean the Assignment --> Assignment Panel dialogue?  That starts with a peak so is it just that you want to see a cluster of peaks near that peak to see how they look (e.g. relative to the contours)?  If the peak is 3D and there are 3 assignment possibilities listed in dim 1, 2 in dim 2 and 5 in dim 3 then I assume you want 3 x 2 x 5 = 30 peaks created.
>> 
> 
> Hi,
> 
> That's what I want. Sometimes if the signal isn't really well shaped or
> the resolution is worse... it is nice to a see the exact spot where the
> optimal peak would be with respect to the actual signal.
> 
> Of course the 3D case gets quite crowded. So either we only create peaks
> which lie within the Z thickness shown or we simply rely on the fact
> that only a limited number of peaks in the Z dimension are actually plotted.
> 
> Justin
> 
> -- 
> Justin Lecher
> Institute of Complex Systems
> ICS-6 Structural Biochemistry
> Research Centre Juelich
> 52425 Juelich, Germany
> phone: +49 2461 61 2117
> 
>