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<div><span id="Tutorial02" style="font-size: 150%;"> | <div><span id="Tutorial02" style="font-size: 150%;"> Fitting the complex refractive index by manual mode </span> </div> | ||
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:In this tutorial, | : ComplexRI represents the spectra of complex refractive index by | ||
: | |||
:Then, | <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> | ||
[[File: | |||
<div id=" | and optimize the set of parameters <math>A_l, \tilde{\nu}_l, \gamma_l</math> and <math>l_{max}</math>. | ||
Sometimes the fitting procedure is facilitated by giving a set of initial guess. | |||
: 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”. | |||
: Then, please move to the Main Package page. | |||
[[File:Nav-Main.png|1000px]] | |||
: 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 ➡[[ComplexRI Manual#Manual#Manual|Manual]].) | |||
:[[File:6Newtutorial02.png|1600px]] | |||
: Now, please click the “Execute Fitting” to start fitting. | |||
<div id="Results of Tutorial02" style="font-size: 150%;"> Results of Tutorial02</div> | |||
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:The | : The Result should be like follows. | ||
[[File: | [[File:5Newres_tuto02.png|750px]] | ||
: | : The meaning of each output can be found in ➡[[ComplexRI Manual#Manual#Manual|Manual]] | ||
[[Tutorial01|Tutorial01 | [[Tutorial01|Tutorial01]] |
2022年5月26日 (木) 04:50時点における最新版
Fitting the complex refractive index by manual mode
- ComplexRI represents the spectra of complex refractive index by
and optimize the set of parameters and . Sometimes the fitting procedure is facilitated by giving a set of initial guess.
- 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