http://comp.chem.tohoku.ac.jp/mediawiki/index.php?action=history&feed=atom&title=Tutorial02 2026-05-03T15:34:38Z このウィキのこのページに関する変更履歴 MediaWiki 1.36.2 http://comp.chem.tohoku.ac.jp/mediawiki/index.php?title=Tutorial02&diff=1038&oldid=prev 2022-05-26T04:50:56Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="ja"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← 古い版</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">2022年5月26日 (木) 04:50時点における版</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l5">5行目:</td> <td colspan="2" class="diff-lineno">5行目:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>&lt;math&gt; 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} &lt;/math&gt;</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>&lt;math&gt; 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} &lt;/math&gt;</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>and optimize the set of parameters <del style="font-weight: bold; text-decoration: none;">$</del>A_l<del style="font-weight: bold; text-decoration: none;">$</del>, <del style="font-weight: bold; text-decoration: none;">$</del>\<del style="font-weight: bold; text-decoration: none;">nu_l$</del>, <del style="font-weight: bold; text-decoration: none;">$</del>\gamma_l<del style="font-weight: bold; text-decoration: none;">$ </del>and <del style="font-weight: bold; text-decoration: none;">$</del>l_{max}<del style="font-weight: bold; text-decoration: none;">$</del>.   </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>and optimize the set of parameters <ins style="font-weight: bold; text-decoration: none;">&lt;math&gt;</ins>A_l, \<ins style="font-weight: bold; text-decoration: none;">tilde{\nu}_l</ins>, \gamma_l<ins style="font-weight: bold; text-decoration: none;">&lt;/math&gt; </ins>and <ins style="font-weight: bold; text-decoration: none;">&lt;math&gt;</ins>l_{max}<ins style="font-weight: bold; text-decoration: none;">&lt;/math&gt;</ins>.   </div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>Sometimes the fitting <del style="font-weight: bold; text-decoration: none;">of these parameters </del>is facilitated by giving <del style="font-weight: bold; text-decoration: none;">the initial </del>set of <del style="font-weight: bold; text-decoration: none;">parameters</del>.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>Sometimes the fitting <ins style="font-weight: bold; text-decoration: none;">procedure </ins>is facilitated by giving <ins style="font-weight: bold; text-decoration: none;">a </ins>set of <ins style="font-weight: bold; text-decoration: none;">initial guess</ins>.</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: 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.  </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: 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.  </div></td></tr> </table>

Morita http://comp.chem.tohoku.ac.jp/mediawiki/index.php?title=Tutorial02&diff=1037&oldid=prev 2022-05-26T04:47:47Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="ja"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← 古い版</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">2022年5月26日 (木) 04:47時点における版</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1">1行目:</td> <td colspan="2" class="diff-lineno">1行目:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>&lt;div&gt;&lt;span id=&quot;Tutorial02&quot;  style=&quot;font-size: 150%;&quot;&gt; Fitting the complex refractive index by manual mode &lt;/span&gt; &lt;/div&gt;</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>&lt;div&gt;&lt;span id=&quot;Tutorial02&quot;  style=&quot;font-size: 150%;&quot;&gt; Fitting the complex refractive index by manual mode &lt;/span&gt; &lt;/div&gt;</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>----</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>----</div></td></tr> <tr><td colspan="2"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">: ComplexRI represents the spectra of complex refractive index by</ins></div></td></tr> <tr><td colspan="2"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr> <tr><td colspan="2"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">&lt;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} &lt;/math></ins></div></td></tr> <tr><td colspan="2"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr> <tr><td colspan="2"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">and optimize the set of parameters $A_l$, $\nu_l$, $\gamma_l$ and $l_{max}$.  </ins></div></td></tr> <tr><td colspan="2"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">Sometimes the fitting of these parameters is facilitated by giving the initial set of parameters.</ins></div></td></tr> <tr><td colspan="2"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: 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.  </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: 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.  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The ATR-IR experimental data file in this tutorial can be downloaded &lt;u&gt;&lt;htmltag tagname=&quot;a&quot; href=&quot;https://comp.chem.tohoku.ac.jp/media/Tutorial/data_ethanol.txt&quot; target=&quot;_blank&quot;&gt;Here&lt;/htmltag&gt;&lt;/u&gt;. Use Ctrl + s to save the file in your local computer. The file name is “data_ethanol.txt”.  </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The ATR-IR experimental data file in this tutorial can be downloaded &lt;u&gt;&lt;htmltag tagname=&quot;a&quot; href=&quot;https://comp.chem.tohoku.ac.jp/media/Tutorial/data_ethanol.txt&quot; target=&quot;_blank&quot;&gt;Here&lt;/htmltag&gt;&lt;/u&gt;. Use Ctrl + s to save the file in your local computer. The file name is “data_ethanol.txt”.  </div></td></tr> <!-- diff cache key my_wiki:diff::1.12:old-1027:rev-1037 --> </table>

Morita http://comp.chem.tohoku.ac.jp/mediawiki/index.php?title=Tutorial02&diff=1027&oldid=prev 2022-03-03T01:51:27Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="ja"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← 古い版</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">2022年3月3日 (木) 01:51時点における版</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l6">6行目:</td> <td colspan="2" class="diff-lineno">6行目:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[File:Nav-Main.png|1000px]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[File:Nav-Main.png|1000px]]</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: 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]].)</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: 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]].)</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>:[[File:<del style="font-weight: bold; text-decoration: none;">5Newtutorial02</del>.png|1600px]]</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>:[[File:<ins style="font-weight: bold; text-decoration: none;">6Newtutorial02</ins>.png|1600px]]</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Now, please click the “Execute Fitting” to start fitting.  </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Now, please click the “Execute Fitting” to start fitting.  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>&lt;div id=&quot;Results of Tutorial02&quot; style=&quot;font-size: 150%;&quot;&gt; Results of Tutorial02&lt;/div&gt;</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>&lt;div id=&quot;Results of Tutorial02&quot; style=&quot;font-size: 150%;&quot;&gt; Results of Tutorial02&lt;/div&gt;</div></td></tr> </table>

Kamimura http://comp.chem.tohoku.ac.jp/mediawiki/index.php?title=Tutorial02&diff=1000&oldid=prev 2022-02-15T02:02:27Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="ja"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← 古い版</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">2022年2月15日 (火) 02:02時点における版</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1">1行目:</td> <td colspan="2" class="diff-lineno">1行目:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>&lt;div&gt;&lt;span id=&quot;Tutorial02&quot;  style=&quot;font-size: 150%;&quot;&gt; Fitting the complex refractive index by manual mode &lt;/span&gt; &lt;/div&gt;</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>&lt;div&gt;&lt;span id=&quot;Tutorial02&quot;  style=&quot;font-size: 150%;&quot;&gt; Fitting the complex refractive index by manual mode &lt;/span&gt; &lt;/div&gt;</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>----</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>----</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>: In this tutorial, we will use the C-C-O asymmetric stretching region of ethanol as an example <del style="font-weight: bold; text-decoration: none;">to show </del>the <del style="font-weight: bold; text-decoration: none;">manually </del>fitting procedure <del style="font-weight: bold; text-decoration: none;">in ComplexRI</del>.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>: In this tutorial, we will use the C-C-O asymmetric stretching region of ethanol as an example<ins style="font-weight: bold; text-decoration: none;">. The initial parameters in </ins>the fitting procedure <ins style="font-weight: bold; text-decoration: none;">are set by users</ins>.  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The ATR-IR experimental data file in this tutorial can be downloaded &lt;u&gt;&lt;htmltag tagname=&quot;a&quot; href=&quot;https://comp.chem.tohoku.ac.jp/media/Tutorial/data_ethanol.txt&quot; target=&quot;_blank&quot;&gt;Here&lt;/htmltag&gt;&lt;/u&gt;. Use Ctrl + s to save the file in your local computer. The file name is “data_ethanol.txt”.  </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The ATR-IR experimental data file in this tutorial can be downloaded &lt;u&gt;&lt;htmltag tagname=&quot;a&quot; href=&quot;https://comp.chem.tohoku.ac.jp/media/Tutorial/data_ethanol.txt&quot; target=&quot;_blank&quot;&gt;Here&lt;/htmltag&gt;&lt;/u&gt;. Use Ctrl + s to save the file in your local computer. The file name is “data_ethanol.txt”.  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Then, please move to the Main Package page.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Then, please move to the Main Package page.</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[File:Nav-Main.png|1000px]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[File:Nav-Main.png|1000px]]</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>: 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 ➡[[<del style="font-weight: bold; text-decoration: none;">En/</del>ComplexRI#Manual|Manual]].)</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>: 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 <ins style="font-weight: bold; text-decoration: none;">Manual#Manual</ins>#Manual|Manual]].)</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>:[[File:5Newtutorial02.png|1600px]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>:[[File:5Newtutorial02.png|1600px]]</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Now, please click the “Execute Fitting” to start fitting.  </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Now, please click the “Execute Fitting” to start fitting.  </div></td></tr> <tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l12">12行目:</td> <td colspan="2" class="diff-lineno">12行目:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The Result should be like follows.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The Result should be like follows.</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[File:5Newres_tuto02.png|750px]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[File:5Newres_tuto02.png|750px]]</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>: The meaning of each output can be found in ➡[[<del style="font-weight: bold; text-decoration: none;">En/</del>ComplexRI#Manual|Manual]]</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>: The meaning of each output can be found in ➡[[ComplexRI <ins style="font-weight: bold; text-decoration: none;">Manual#Manual</ins>#Manual|Manual]]</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Tutorial01|Tutorial01]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Tutorial01|Tutorial01]]</div></td></tr> <!-- diff cache key my_wiki:diff::1.12:old-995:rev-1000 --> </table>

Lwang http://comp.chem.tohoku.ac.jp/mediawiki/index.php?title=Tutorial02&diff=995&oldid=prev 2022-02-14T08:30:37Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="ja"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← 古い版</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">2022年2月14日 (月) 08:30時点における版</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l4">4行目:</td> <td colspan="2" class="diff-lineno">4行目:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The ATR-IR experimental data file in this tutorial can be downloaded &lt;u&gt;&lt;htmltag tagname=&quot;a&quot; href=&quot;https://comp.chem.tohoku.ac.jp/media/Tutorial/data_ethanol.txt&quot; target=&quot;_blank&quot;&gt;Here&lt;/htmltag&gt;&lt;/u&gt;. Use Ctrl + s to save the file in your local computer. The file name is “data_ethanol.txt”.  </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The ATR-IR experimental data file in this tutorial can be downloaded &lt;u&gt;&lt;htmltag tagname=&quot;a&quot; href=&quot;https://comp.chem.tohoku.ac.jp/media/Tutorial/data_ethanol.txt&quot; target=&quot;_blank&quot;&gt;Here&lt;/htmltag&gt;&lt;/u&gt;. Use Ctrl + s to save the file in your local computer. The file name is “data_ethanol.txt”.  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Then, please move to the Main Package page.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Then, please move to the Main Package page.</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>[[File:Main.png|1000px]]</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>[[File:<ins style="font-weight: bold; text-decoration: none;">Nav-</ins>Main.png|1000px]]</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: 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 ➡[[En/ComplexRI#Manual|Manual]].)</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: 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 ➡[[En/ComplexRI#Manual|Manual]].)</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>:[[File:5Newtutorial02.png|1600px]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>:[[File:5Newtutorial02.png|1600px]]</div></td></tr> <!-- diff cache key my_wiki:diff::1.12:old-984:rev-995 --> </table>

Kamimura http://comp.chem.tohoku.ac.jp/mediawiki/index.php?title=Tutorial02&diff=984&oldid=prev 2022-02-14T08:11:47Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="ja"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← 古い版</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">2022年2月14日 (月) 08:11時点における版</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l2">2行目:</td> <td colspan="2" class="diff-lineno">2行目:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>----</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>----</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: In this tutorial, we will use the C-C-O asymmetric stretching region of ethanol as an example to show the manually fitting procedure in ComplexRI.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: In this tutorial, we will use the C-C-O asymmetric stretching region of ethanol as an example to show the manually fitting procedure in ComplexRI.</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>: The ATR-IR experimental data file in this tutorial can be downloaded <del style="font-weight: bold; text-decoration: none;">from </del>&lt;u&gt;&lt;htmltag tagname=&quot;a&quot; href=&quot;https://comp.chem.tohoku.ac.jp/media/Tutorial/data_ethanol.txt&quot; target=&quot;_blank&quot;&gt;Here&lt;/htmltag&gt;&lt;/u&gt;<del style="font-weight: bold; text-decoration: none;">, and </del>Ctrl + s<del style="font-weight: bold; text-decoration: none;">(Command + s) on </del>the <del style="font-weight: bold; text-decoration: none;">new page</del>.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>: The ATR-IR experimental data file in this tutorial can be downloaded &lt;u&gt;&lt;htmltag tagname=&quot;a&quot; href=&quot;https://comp.chem.tohoku.ac.jp/media/Tutorial/data_ethanol.txt&quot; target=&quot;_blank&quot;&gt;Here&lt;/htmltag&gt;&lt;/u&gt;<ins style="font-weight: bold; text-decoration: none;">. Use </ins>Ctrl + s <ins style="font-weight: bold; text-decoration: none;">to save </ins>the <ins style="font-weight: bold; text-decoration: none;">file in your local computer. The file name is “data_ethanol.txt”</ins>.  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Then, please move to the Main Package page.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Then, please move to the Main Package page.</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[File:Main.png|1000px]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[File:Main.png|1000px]]</div></td></tr> <!-- diff cache key my_wiki:diff::1.12:old-981:rev-984 --> </table>

Lwang http://comp.chem.tohoku.ac.jp/mediawiki/index.php?title=Tutorial02&diff=981&oldid=prev 2022-02-14T08:04:40Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="ja"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← 古い版</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">2022年2月14日 (月) 08:04時点における版</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l2">2行目:</td> <td colspan="2" class="diff-lineno">2行目:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>----</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>----</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: In this tutorial, we will use the C-C-O asymmetric stretching region of ethanol as an example to show the manually fitting procedure in ComplexRI.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: In this tutorial, we will use the C-C-O asymmetric stretching region of ethanol as an example to show the manually fitting procedure in ComplexRI.</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>: The ATR-IR experimental data file in this tutorial can be downloaded from &lt;u&gt;&lt;htmltag tagname=&quot;a&quot; href=&quot;https://comp.chem.tohoku.ac.jp/media/Tutorial/data_ethanol.txt&quot; target=&quot;_blank&quot;&gt;Here&lt;/htmltag&gt;&lt;/u&gt;<del style="font-weight: bold; text-decoration: none;">. </del>and Ctrl + s(Command + s) on the new page.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>: The ATR-IR experimental data file in this tutorial can be downloaded from &lt;u&gt;&lt;htmltag tagname=&quot;a&quot; href=&quot;https://comp.chem.tohoku.ac.jp/media/Tutorial/data_ethanol.txt&quot; target=&quot;_blank&quot;&gt;Here&lt;/htmltag&gt;&lt;/u&gt;<ins style="font-weight: bold; text-decoration: none;">, </ins>and Ctrl + s(Command + s) on the new page.</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Then, please move to the Main Package page.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Then, please move to the Main Package page.</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[File:Main.png|1000px]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[File:Main.png|1000px]]</div></td></tr> </table>

Kamimura http://comp.chem.tohoku.ac.jp/mediawiki/index.php?title=Tutorial02&diff=979&oldid=prev 2022-02-14T07:56:23Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="ja"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← 古い版</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">2022年2月14日 (月) 07:56時点における版</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l2">2行目:</td> <td colspan="2" class="diff-lineno">2行目:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>----</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>----</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: In this tutorial, we will use the C-C-O asymmetric stretching region of ethanol as an example to show the manually fitting procedure in ComplexRI.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: In this tutorial, we will use the C-C-O asymmetric stretching region of ethanol as an example to show the manually fitting procedure in ComplexRI.</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>: The ATR-IR experimental data file in this tutorial can be downloaded <del style="font-weight: bold; text-decoration: none;">on the manual page of ComplexRI</del>.  </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>: The ATR-IR experimental data file in this tutorial can be downloaded <ins style="font-weight: bold; text-decoration: none;">from &lt;u&gt;&lt;htmltag tagname=&quot;a&quot; href=&quot;https://comp.chem</ins>.<ins style="font-weight: bold; text-decoration: none;">tohoku</ins>.<ins style="font-weight: bold; text-decoration: none;">ac</ins>.<ins style="font-weight: bold; text-decoration: none;">jp/media/Tutorial/data_ethanol</ins>.<ins style="font-weight: bold; text-decoration: none;">txt&quot; target=&quot;_blank&quot;&gt;Here&lt;/htmltag&gt;&lt;/u&gt;</ins>. <ins style="font-weight: bold; text-decoration: none;">and Ctrl + s(Command + s) on the new page</ins>.</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;">[[File:2NewMAN</del>.<del style="font-weight: bold; text-decoration: none;">png|1000px]]</del></div></td><td colspan="2"></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;">: Here, Click “Download the file for the tutorial02” to download the file</del>. <del style="font-weight: bold; text-decoration: none;">The filename name should be “data_ethanol</del>.<del style="font-weight: bold; text-decoration: none;">txt”</del>.</div></td><td colspan="2"></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;">[[File:2NewDL2</del>.<del style="font-weight: bold; text-decoration: none;">png|400px]]</del></div></td><td colspan="2"></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Then, please move to the Main Package page.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Then, please move to the Main Package page.</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[File:Main.png|1000px]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[File:Main.png|1000px]]</div></td></tr> </table>

Kamimura http://comp.chem.tohoku.ac.jp/mediawiki/index.php?title=Tutorial02&diff=891&oldid=prev 2021-12-25T03:07:27Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="ja"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← 古い版</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">2021年12月25日 (土) 03:07時点における版</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l14">14行目:</td> <td colspan="2" class="diff-lineno">14行目:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>----</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>----</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The Result should be like follows.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The Result should be like follows.</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>[[File:<del style="font-weight: bold; text-decoration: none;">4Newres_tuto02</del>.png|750px]]</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>[[File:<ins style="font-weight: bold; text-decoration: none;">5Newres_tuto02</ins>.png|750px]]</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The meaning of each output can be found in ➡[[En/ComplexRI#Manual|Manual]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The meaning of each output can be found in ➡[[En/ComplexRI#Manual|Manual]]</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Tutorial01|Tutorial01]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Tutorial01|Tutorial01]]</div></td></tr> </table>

Kamimura http://comp.chem.tohoku.ac.jp/mediawiki/index.php?title=Tutorial02&diff=834&oldid=prev 2021-12-22T06:51:55Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="ja"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← 古い版</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">2021年12月22日 (水) 06:51時点における版</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l9">9行目:</td> <td colspan="2" class="diff-lineno">9行目:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[File:Main.png|1000px]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[File:Main.png|1000px]]</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: 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 ➡[[En/ComplexRI#Manual|Manual]].)</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: 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 ➡[[En/ComplexRI#Manual|Manual]].)</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>:[[File:<del style="font-weight: bold; text-decoration: none;">4Newtutorial02</del>.png|1600px]]</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>:[[File:<ins style="font-weight: bold; text-decoration: none;">5Newtutorial02</ins>.png|1600px]]</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Now, please click the “Execute Fitting” to start fitting.  </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: Now, please click the “Execute Fitting” to start fitting.  </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>&lt;div id=&quot;Results of Tutorial02&quot; style=&quot;font-size: 150%;&quot;&gt; Results of Tutorial02&lt;/div&gt;</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>&lt;div id=&quot;Results of Tutorial02&quot; style=&quot;font-size: 150%;&quot;&gt; Results of Tutorial02&lt;/div&gt;</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>----</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>----</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The Result should be like follows.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The Result should be like follows.</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>[[File:<del style="font-weight: bold; text-decoration: none;">3Newres_tuto02</del>.png|750px]]</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>[[File:<ins style="font-weight: bold; text-decoration: none;">4Newres_tuto02</ins>.png|750px]]</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The meaning of each output can be found in ➡[[En/ComplexRI#Manual|Manual]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>: The meaning of each output can be found in ➡[[En/ComplexRI#Manual|Manual]]</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Tutorial01|Tutorial01]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Tutorial01|Tutorial01]]</div></td></tr> <!-- diff cache key my_wiki:diff::1.12:old-829:rev-834 --> </table>

Kamimura