From f2174a0653ae299ea7ee83af5b414ec7ae0a2bcc Mon Sep 17 00:00:00 2001 From: "W. Trevor King" Date: Mon, 27 May 2013 15:11:51 -0400 Subject: [PATCH] media/src/asy/fit-valley-PBS*: Add sawsim fit valleys for salt data --- Makefile | 4 +- index.html.itex | 29 + media/src/asy/fit-valley-PBS-0.5M-CaCl2.asy | 16 + media/src/asy/fit-valley-PBS-0.5M-CaCl2.dat | 2450 +++++++++++++++++++ media/src/asy/fit-valley-PBS.asy | 15 + media/src/asy/fit-valley-PBS.dat | 2450 +++++++++++++++++++ 6 files changed, 4963 insertions(+), 1 deletion(-) create mode 100644 media/src/asy/fit-valley-PBS-0.5M-CaCl2.asy create mode 100644 media/src/asy/fit-valley-PBS-0.5M-CaCl2.dat create mode 100644 media/src/asy/fit-valley-PBS.asy create mode 100644 media/src/asy/fit-valley-PBS.dat diff --git a/Makefile b/Makefile index ddc0149..3e7e510 100644 --- 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 diff --git a/index.html.itex b/index.html.itex index b5152d9..f8bc0eb 100644 --- a/index.html.itex +++ b/index.html.itex @@ -740,6 +740,35 @@ index 60741c6..e76b118 100644

+
+

Salt: Sawsim fits

+

+ + +

+ + + + + + + + + + + + + + + + + + + + +
Buffer$\Delta x$ (Å)$k_{u0}$ (s$^{-1}$)
PBS1.320.222
PBS + 0.5 M CaCl₂1.230.450
+

Ca²⁺ radius ∼1.1 Å, H-bond ∼2 Å.

+

THE END

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 index 0000000..7442046 --- /dev/null +++ b/media/src/asy/fit-valley-PBS-0.5M-CaCl2.asy @@ -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 index 0000000..31b327c --- /dev/null +++ b/media/src/asy/fit-valley-PBS-0.5M-CaCl2.dat @@ -0,0 +1,2450 @@ +#k0 (1/s) dx (m) D_JS +0.01 5e-11 0.480058755392 +0.01 5.40816326531e-11 0.474991381266 +0.01 5.81632653061e-11 0.477284085972 +0.01 6.22448979592e-11 0.470196967759 +0.01 6.63265306122e-11 0.472324883407 +0.01 7.04081632653e-11 0.472521429749 +0.01 7.44897959184e-11 0.478778027521 +0.01 7.85714285714e-11 0.485796015337 +0.01 8.26530612245e-11 0.492314508341 +0.01 8.67346938776e-11 0.518448911196 +0.01 9.08163265306e-11 0.542153638236 +0.01 9.48979591837e-11 0.581713260536 +0.01 9.89795918367e-11 0.611380164324 +0.01 1.0306122449e-10 0.667126302364 +0.01 1.07142857143e-10 0.698549377629 +0.01 1.11224489796e-10 0.715442938767 +0.01 1.15306122449e-10 0.717279792788 +0.01 1.19387755102e-10 0.714476717742 +0.01 1.23469387755e-10 0.681458567238 +0.01 1.27551020408e-10 0.662648357555 +0.01 1.31632653061e-10 0.633069824892 +0.01 1.35714285714e-10 0.58184291541 +0.01 1.39795918367e-10 0.562993930311 +0.01 1.4387755102e-10 0.528497133846 +0.01 1.47959183673e-10 0.486239635522 +0.01 1.52040816327e-10 0.453854621942 +0.01 1.5612244898e-10 0.42340767974 +0.01 1.60204081633e-10 0.376340207992 +0.01 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+8.68511373751 2.45918367347e-10 0.486216847059 diff --git a/media/src/asy/fit-valley-PBS.asy b/media/src/asy/fit-valley-PBS.asy new file mode 100644 index 0000000..5855f49 --- /dev/null +++ b/media/src/asy/fit-valley-PBS.asy @@ -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 index 0000000..730de5e --- /dev/null +++ b/media/src/asy/fit-valley-PBS.dat @@ -0,0 +1,2450 @@ +#k0 (1/s) dx (m) D_JS +0.01 5e-11 0.483176272829 +0.01 5.40816326531e-11 0.471914135153 +0.01 5.81632653061e-11 0.474574811762 +0.01 6.22448979592e-11 0.466085798348 +0.01 6.63265306122e-11 0.465380457296 +0.01 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