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Graphics > Gnuplot interactive function plotter > plot calculated...
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plot calculated IR-spectrum

by Philipp Eiden <peiden@[EMAIL PROTECTED] > Jul 3, 2008 at 01:15 PM

Hi everybody,

I would like to plot an IR-spectrum. The problem is, 
that I have only the datapoints of the intensity and 
wavenumber at the maximum, e.g.

# spectrum.dat
# v	I	
0.00    0.00
108.97  0.00
169.61  6.21
325.48  0.00
486.67  183.07

so I would need to fit a Lorentzian function to each 
datapoint-pair

f(x) = alpha*I_(1strow)/(pi*alpha*(x-v_(1strow))**2+1)
g(x) = alpha*I_(2ndrow)/(pi*alpha*(x-v_(2ndrow))**2+1)
..
..
..
z(x) = alpha*I_(last-row)/(pi*alpha*(x-v_(last-row))**2+1)

and then sum all functions to obtain the spectrum. Is 
this possible with gnuplot? How?

Thanks

Philipp Eiden
 




 9 Posts in Topic:
plot calculated IR-spectrum
Philipp Eiden <peiden@  2008-07-03 13:15:37 
Re: plot calculated IR-spectrum
googoff@[EMAIL PROTECTED]  2008-07-04 03:18:15 
Re: plot calculated IR-spectrum
Ben <benoit.bardet@[EM  2008-07-05 01:11:18 
Re: plot calculated IR-spectrum
Rahul <nospam@[EMAIL P  2008-07-06 02:53:27 
Re: plot calculated IR-spectrum
=?ISO-8859-1?Q?Hans-Bernh  2008-07-06 21:21:50 
Re: plot calculated IR-spectrum
googoff@[EMAIL PROTECTED]  2008-07-06 14:37:32 
Re: plot calculated IR-spectrum
googoff@[EMAIL PROTECTED]  2008-07-06 14:58:26 
Re: plot calculated IR-spectrum
Philipp Eiden <peiden@  2008-07-07 20:55:28 
Re: plot calculated IR-spectrum
googoff@[EMAIL PROTECTED]  2008-07-08 12:55:22 

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tan12V112 Fri Dec 5 6:37:10 CST 2008.