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<div><span id="Tutorial01"  style="font-size: 150%;"> Fitting the complex refractive index by 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, we will use the C=O stretching region of dimethyl carbonate (DMC) as an example to show the automatic fitting procedure in ComplexRI.
: 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 <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”.
: 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”.
: Then, please move to the Main Package page.
: Then, please move to the Main Package page.
[[File:Nav-Main.png|1000px]]
[[File:Nav-Main.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 ➡[[En/ComplexRI#Manual|Manual]].)
: 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:Newtutorial01.png|1500px]]
:[[File:2Newtutorial01.png|1500px]]
: Now, please click the “Execute Fitting” to start fitting.  
: Now, please click the “Execute Fitting” to start fitting.  
<div id="Results of Tutorial01" style="font-size: 150%;"> Results of Tutorial01</div>
<div id="Results of Tutorial01" style="font-size: 150%;"> Results of Tutorial01</div>
12行目: 12行目:
: The Result should be like follows.
: The Result should be like follows.
[[File:2Newres_tuto01.png|750px]]
[[File:2Newres_tuto01.png|750px]]
: The meaning of each output can be found in ➡[[En/ComplexRI#Manual|Manual]]
: 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