media/src/asy/fit-valley-PBS*: Add sawsim fit valleys for salt data
authorW. Trevor King <wking@tremily.us>
Mon, 27 May 2013 19:11:51 +0000 (15:11 -0400)
committerW. Trevor King <wking@tremily.us>
Mon, 27 May 2013 19:17:18 +0000 (15:17 -0400)
Makefile
index.html.itex
media/src/asy/fit-valley-PBS-0.5M-CaCl2.asy [new file with mode: 0644]
media/src/asy/fit-valley-PBS-0.5M-CaCl2.dat [new file with mode: 0644]
media/src/asy/fit-valley-PBS.asy [new file with mode: 0644]
media/src/asy/fit-valley-PBS.dat [new file with mode: 0644]

index ddc014932c6f13228bd9a1d402d5abe304ea4748..3e7e5109cba8eb81259dd4eaf531c07e47cb7742 100644 (file)
--- a/Makefile
+++ b/Makefile
@@ -51,7 +51,9 @@ THUMBNAILS = \
        $(DEST)/wlc-model-hw-fh.png \
        $(DEST)/fjc-model-hw-fh.png \
        $(DEST)/fit-valley-fw-fh.png \
-       $(DEST)/1TIT-hbond-fw-fh.png
+       $(DEST)/1TIT-hbond-fw-fh.png \
+       $(DEST)/fit-valley-PBS-hw-hh.png \
+       $(DEST)/fit-valley-PBS-0.5M-CaCl2-hw-hh.png
 
 #      $(DEST)/landscape-cant-hw-hh.png
 
index b5152d9bd197a011d9395d3bca27382ff384ee04..f8bc0eb2ef33c6a28bf7acfcf5d91fe1c124ec4f 100644 (file)
@@ -740,6 +740,35 @@ index 60741c6..e76b118 100644
                                                        <img src="media/build/1TIT-hbond-fw-fh.png" />
                                                </p>
                                        </section>
+                                       <section>
+                                               <h2>Salt: Sawsim fits</h2>
+                                               <p>
+                                                       <img src="media/build/fit-valley-PBS-hw-hh.png" />
+                                                       <img src="media/build/fit-valley-PBS-0.5M-CaCl2-hw-hh.png" />
+                                               </p>
+                                               <table class="center" style="width: 640px;">
+                                                       <thead>
+                                                               <tr>
+                                                                       <th>Buffer</th>
+                                                                       <th>$\Delta x$ (Å)</th>
+                                                                       <th>$k_{u0}$ (s$^{-1}$)</th>
+                                                               </tr>
+                                                       </thead>
+                                                       <tbody>
+                                                               <tr>
+                                                                       <td>PBS</td>
+                                                                       <td>1.32</td>
+                                                                       <td>0.222</td>
+                                                               </tr>
+                                                               <tr>
+                                                                       <td>PBS + 0.5 M CaCl₂</td>
+                                                                       <td>1.23</td>
+                                                                       <td>0.450</td>
+                                                               </tr>
+                                                       </tbody>
+                                               </table>
+                                               <p>Ca²⁺ radius ∼1.1 Å, H-bond ∼2 Å.</p>
+                                       </section>
                                </section>
                                <section>
                                        <h1>THE END</h1>
diff --git a/media/src/asy/fit-valley-PBS-0.5M-CaCl2.asy b/media/src/asy/fit-valley-PBS-0.5M-CaCl2.asy
new file mode 100644 (file)
index 0000000..7442046
--- /dev/null
@@ -0,0 +1,16 @@
+import wtk_graph;
+
+usepackage("amsmath");
+usepackage("fixltx2e");  /* for \textsubscript */
+
+size(8cm,6cm,IgnoreAspect);
+
+scale(Log, Linear, Log);
+real xscale=1;
+real yscale=1e9;
+
+graphMatrixFile("fit-valley-PBS-0.5M-CaCl2.dat", xscale=xscale, yscale=yscale,
+                x_label="$k_{uo}$ (s$^{-1}$)", y_label="$\Delta x_u$ (nm)",
+                palette_label="$D_\text{JS}$");
+
+label(sLabel("0.5 M CaCl\textsubscript{2}"), point(N),N);
diff --git a/media/src/asy/fit-valley-PBS-0.5M-CaCl2.dat b/media/src/asy/fit-valley-PBS-0.5M-CaCl2.dat
new file mode 100644 (file)
index 0000000..31b327c
--- /dev/null
@@ -0,0 +1,2450 @@
+#k0 (1/s)      dx (m)  D_JS
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diff --git a/media/src/asy/fit-valley-PBS.asy b/media/src/asy/fit-valley-PBS.asy
new file mode 100644 (file)
index 0000000..5855f49
--- /dev/null
@@ -0,0 +1,15 @@
+import wtk_graph;
+
+usepackage("amsmath");
+
+size(8cm,6cm,IgnoreAspect);
+
+scale(Log, Linear, Log);
+real xscale=1;
+real yscale=1e9;
+
+graphMatrixFile("fit-valley-PBS.dat", xscale=xscale, yscale=yscale,
+                x_label="$k_{uo}$ (s$^{-1}$)", y_label="$\Delta x_u$ (nm)",
+                palette_label="$D_\text{JS}$");
+
+label(sLabel("PBS"), point(N),N);
diff --git a/media/src/asy/fit-valley-PBS.dat b/media/src/asy/fit-valley-PBS.dat
new file mode 100644 (file)
index 0000000..730de5e
--- /dev/null
@@ -0,0 +1,2450 @@
+#k0 (1/s)      dx (m)  D_JS
+0.01   5e-11   0.483176272829
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