「Tutorial02」の版間の差分
		
		
		
		
		
		ナビゲーションに移動
		検索に移動
		
				
		
		
	
| 1行目: | 1行目: | ||
<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>  | ||
----  | ----  | ||
: 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) 13:47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.
 
- 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.)
 
- Now, please click the “Execute Fitting” to start fitting.
 
 Results of Tutorial02
- The Result should be like follows.
 
- The meaning of each output can be found in ➡Manual
 
