Subject: Re: Peak Selection
From: andrewjamesperry2002
Date: Jul 22, 2006

Previous: 194

--- In nmr_sparky@yahoogroups.com , Mandar T. Naik mandarn@... wrote:

Hi Thomas, Eiso and Everybody out there,

Does anyone know a trick or can suggest code for selecting negative

data

height peaks? Or sort the peak list, lt with respect to data

heights (I

know it has a option for peak volumes).

Best regards
-mandar

I needed to do this exact same thing a few years ago, and wrote a
small function to do it. (I wanted to be able to easily alias folded
peaks which were negative).

Ive added the relevant file to the sparkyscripts project
(https://sourceforge.net/projects/sparkyscripts) .

I still havent had time to package up a release of this code (it
really needs to be expanded a little anyway), but you can get it from CVS.

See:
http://sparkyscripts.cvs.sourceforge.net/sparkyscripts/sparkyscripts/select_peaks.py?revision=1.1=markup

and it can be bound to the sN key combo by adding some code to
sparky_init.py. See:
http://sparkyscripts.cvs.sourceforge.net/sparkyscripts/sparkyscripts/sparky_init.py?revision=1.2=markup

Of course, what Sparky could really benefit from is a peak selection
dialog similar to that found in XEasy ... but I havent got around to
writing that ... (maybe I will when my next NMR structure project
comes along ...).

Cheers,

Andrew