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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 | : 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 ➡[[ | : 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:Newtutorial01.png|1500px]] | ||
: Now, please click the “Execute Fitting” to start fitting. | : Now, please click the “Execute Fitting” to start fitting. | ||
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: 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 ➡[[ | : The meaning of each output can be found in ➡[[ComplexRI Manual#Manual|Manual]] | ||
[[Tutorial02|Tutorial02]] | [[Tutorial02|Tutorial02]] | ||
2022年2月15日 (火) 02:00時点における版
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.
- 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.)
- Now, please click the “Execute Fitting” to start fitting.
Results of Tutorial01
- The Result should be like follows.
- The meaning of each output can be found in ➡Manual