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提供: ComplexRI: Manual
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<div><span id="Tutorial02"  style="font-size: 150%;"> Fitting the complex refractive index by manual mode </span> </div>
<div><span id="Tutorial02"  style="font-size: 150%;"> Fitting the complex refractive index by manual mode </span> </div>
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: ComplexRI represents the spectra of complex refractive index by
<math> n(\tilde{\nu}) = \eta(\tilde{\nu}) + i \kappa (\tilde{\nu}) = n_j^0 + \sum_{l=1}^{l_{max}} \frac{A_l}{\tilde{\nu}_l - \tilde{\nu} - i \gamma_l} </math>
and optimize the set of parameters $A_l$, $\nu_l$, $\gamma_l$ and $l_{max}$. 
Sometimes the fitting of these parameters is facilitated by giving the initial set of parameters.
: In this tutorial, we will use the C-C-O asymmetric stretching region of ethanol as an example. The initial parameters in the fitting procedure are set by users.  
: In this tutorial, we will use the C-C-O asymmetric stretching region of ethanol as an example. The initial parameters in the fitting procedure are set by users.  
: The ATR-IR experimental data file in this tutorial can be downloaded <u><htmltag tagname="a" href="https://comp.chem.tohoku.ac.jp/media/Tutorial/data_ethanol.txt" target="_blank">Here</htmltag></u>. Use Ctrl + s to save the file in your local computer. The file name is “data_ethanol.txt”.  
: The ATR-IR experimental data file in this tutorial can be downloaded <u><htmltag tagname="a" href="https://comp.chem.tohoku.ac.jp/media/Tutorial/data_ethanol.txt" target="_blank">Here</htmltag></u>. Use Ctrl + s to save the file in your local computer. The file name is “data_ethanol.txt”.  

2022年5月26日 (木) 04:47時点における版

Fitting the complex refractive index by manual mode

ComplexRI represents the spectra of complex refractive index by

and optimize the set of parameters $A_l$, $\nu_l$, $\gamma_l$ and $l_{max}$. Sometimes the fitting of these parameters is facilitated by giving the initial set of parameters.

In this tutorial, we will use the C-C-O asymmetric stretching region of ethanol as an example. The initial parameters in the fitting procedure are set by users.
The ATR-IR experimental data file in this tutorial can be downloaded Here. Use Ctrl + s to save the file in your local computer. The file name is “data_ethanol.txt”.
Then, please move to the Main Package page.

Nav-Main.png

Upload the“data_ethanol.txt” in ① and set the other parameters according to the following figure. (For the meanings of each part, please refer to ➡Manual.)
6Newtutorial02.png
Now, please click the “Execute Fitting” to start fitting.
Results of Tutorial02

The Result should be like follows.

5Newres tuto02.png

The meaning of each output can be found in ➡Manual

Tutorial01