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<div><span id="Automatic mode"  style="font-size: 150%;">Automatic mode </span></div>
<div><span id="Tutorial01"  style="font-size: 150%;"> Fitting the complex refractive index by automatic mode </span> </div>
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:In this tutorial, you practice to input the input file. You can download the file for this tutorial from the manual page.  
: 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.
[[File:MAN.png|1000px]]
: 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”.
:Here, you use File01. Click “download the File 01” to download this file. The name should be “data_DMC_2col.txt”.
: Then, please move to the Main Package page.
[[File:NewDL1.png|400px]]
[[File:Nav-Main.png|1000px]]
:Then, please move to the LSR page.
: 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]].)
:[[File:LSRNEW.png|1000px]]
:[[File:2Newtutorial01.png|1500px]]
<div id="input of Automatic mode" style="font-size: 150%;">Input</div>
: Now, please click the “Execute Fitting” to start fitting.  
:[[File:tutorial01.png|500px]]
<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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:[[File:execute.png|500px]]
: The Result should be like follows.
<div id="output of Automatic mode" style="font-size: 150%;">Output</div>
[[File:2Newres_tuto01.png|750px]]
[[File:01結果.png|500px]]
: The above spectra of complex refractive index are expressed by
<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>
: The meaning of each output can be found in ➡[[ComplexRI Manual#Manual|Manual]]


[[Tutorial02|Tutorial02]]
[[Tutorial02|Tutorial02]]

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