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提供: ComplexRI: Manual
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<div><span id="Tutorial01"  style="font-size: 150%;">Input the file </span>➡[[#Explanation of Tutorial01 |Explnation of Tutorial01]]</div>
<div><span id="Tutorial01"  style="font-size: 150%;"> Fitting the complex refractive index by automatic mode </span> </div>
:In this tutorial, you practice to input the input file. You can download the file for this tutorial from the manual page.  
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[[File:MAN.png|1000px]]
: In this tutorial, we will use the C=O stretching region of dimethyl carbonate (DMC) as an example. The initial parameters in the fitting procedure are automatically determined by ComplexRI.
:Here, you use File01. Click “download the File 01” to download this file.
: 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_DMC_2col.txt" target="_blank">Here</htmltag></u>. Use Ctrl + s to save the file in your local computer. The file name is “data_DMC_2col.txt”.
[[File:DL1.png|1000px]]
: Then, please move to the Main Package page.
:Then, please move to the LSR page.
[[File:Nav-Main.png|1000px]]
[[File:LSRNEW.png|1000px]]
: Upload the“data_DMC_2col.txt” in ① and set the other parameters according to the following figure. (For the meanings of each part, please refer to ➡[[ComplexRI Manual#Manual|Manual]].)
:There are eleven input fields from①to⑪. In this tutorial, you input only two field.
:[[File:2Newtutorial01.png|1500px]]
:First, it is title. This is the input field①. This value become the name of the output file. Please, give freely.
: Now, please click the “Execute Fitting” to start fitting.  
:Second, it is input file. This is the input fields②. Please, input the file01 you downloaded before. The name should be “data_DMC_2col.txt”.
<div id="Results of Tutorial01" style="font-size: 150%;"> Results of Tutorial01</div>
:Now, please click the “Execute LSR” to start fitting.  
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<div id="Explanation of Tutorial01" style="font-size: 150%;">Explanation of Tutorial01</div>
: The Result should be like follows.
:Result should be like below.
[[File:2Newres_tuto01.png|750px]]
<div id = "image1-1" style="font-size: 120%;">[図1-1]</div>
: The above spectra of complex refractive index are expressed by
:This is the basic flow of ComplexRI. In the next tutorial, you can practice to input the values to other input fields.
<math> n(\tilde{\nu}) = \eta(\tilde{\nu}) + i \kappa (\tilde{\nu}) = n_j^0 + \sum_l \frac{A_l}{\tilde{\nu}_l - \tilde{\nu} - i \gamma_l} </math>
:Here, we explain only the format of input file.
: The meaning of each output can be found in ➡[[ComplexRI Manual#Manual|Manual]]
[[File:FILE01.png|200px]]
 
:The content of file you downloaded should be like above. There are the wavenumber and the corresponding reflectance in the first columns and second columns respectively.
[[Tutorial02|Tutorial02]]
:We explain the result in the next tutorial.

2022年5月26日 (木) 04:41時点における最新版

Fitting the complex refractive index by automatic mode

In this tutorial, we will use the C=O stretching region of dimethyl carbonate (DMC) as an example. The initial parameters in the fitting procedure are automatically determined by ComplexRI.
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_DMC_2col.txt”.
Then, please move to the Main Package page.

Nav-Main.png

Upload the“data_DMC_2col.txt” in ① and set the other parameters according to the following figure. (For the meanings of each part, please refer to ➡Manual.)
2Newtutorial01.png
Now, please click the “Execute Fitting” to start fitting.
Results of Tutorial01

The Result should be like follows.

2Newres tuto01.png

The above spectra of complex refractive index are expressed by

The meaning of each output can be found in ➡Manual

Tutorial02