Help with python script for NMR
Peter Otten
__peter__ at web.de
Sun Mar 27 13:39:30 EDT 2016
mohamadmaaz5 at gmail.com wrote:
> On Sunday, March 27, 2016 at 4:50:01 PM UTC+2, Joel Goldstick wrote:
>> On Sun, Mar 27, 2016 at 10:38 AM, <mohamadmaaz5 at gmail.com> wrote:
>>
>> > Hello there,
>> > I found a python script in a scientific article that enables a simple
>> > calculation on an NMR spectrum.
>> > I have no experience in programming and i would appreciate it if i can
>> > communicate with someone who can write this script and send it to me by
>> > mail in py format. It's a short script but i keep making alot of
>> > mistaken and it fails every time.
>> > Anyone's interested in helping me ?
>> > Thanks
>> > --
>> > https://mail.python.org/mailman/listinfo/python-list
>> >
>>
>> copy the code here. You will get help, but people don't generally write
>> programs for others here
>>
>> --
>> Joel Goldstick
>> http://joelgoldstick.com/ <http://joelgoldstick.com/stats/birthdays>
>> http://cc-baseballstats.info/
>
> this is the script. the thing is that i have zero experience in writing
> and i cant find the error. all i need is to embed this script to perfome a
> relatively simple calculation on a spectra. hope anyone can help. thanks
>
> #! /usr /bin/envpython
> #encoding:utf- 8
> i m p o r tnmrtec . nmrNotebook . c o n t r o l l e r . C o n t r o l l e
> r as Cont i m p o r tnmrtec . u t i l as u t i l
> i m p o r tnmrtec . nmrNotebook . model . common .nmrCommon as nmrcom
> c l a s sBarycentre :
If you want to turn Annex B of www.theses.fr/2014STRAJ015.pdf into runnable
Python please note
"""
Created by Marie−Aude Coutouly , Justine Vieville, Matthieu ...
...Tanty and Marc−Andre Delsuc on 2010−11−04
Copyright ( c ) 2010 NMRTEC and IGBMC. All rights Reserved .
""""
If you didn't already contact the author(s) you should try that first --
perhaps they can provide a copy of the original script.
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