aboutsummaryrefslogtreecommitdiff
path: root/docs/articles
diff options
context:
space:
mode:
Diffstat (limited to 'docs/articles')
-rw-r--r--docs/articles/FOCUS_D.html25
-rw-r--r--docs/articles/FOCUS_D_cache/html/data_df09328a15a9c09625fe6f7d481671d8.RDatabin0 -> 3177 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/data_df09328a15a9c09625fe6f7d481671d8.rdb (renamed from docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_97560c30ad0c097f3807f1e18320a130.rdb)0
-rw-r--r--docs/articles/FOCUS_D_cache/html/data_df09328a15a9c09625fe6f7d481671d8.rdxbin0 -> 113 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/fit_449df36a8c1e5c902ad4f45fc76df647.RDatabin0 -> 2735 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/fit_449df36a8c1e5c902ad4f45fc76df647.rdbbin0 -> 100333 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/fit_449df36a8c1e5c902ad4f45fc76df647.rdxbin0 -> 168 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/model_911bdb95adf8c19a8e50c4150b20f2fc.RDatabin0 -> 2935 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/model_911bdb95adf8c19a8e50c4150b20f2fc.rdbbin0 -> 1775 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/model_911bdb95adf8c19a8e50c4150b20f2fc.rdxbin0 -> 147 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/plot_2_3aa531f4c45b3e89e3259e0bb1cf7cf7.RDatabin0 -> 2769 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/plot_2_3aa531f4c45b3e89e3259e0bb1cf7cf7.rdb0
-rw-r--r--docs/articles/FOCUS_D_cache/html/plot_2_3aa531f4c45b3e89e3259e0bb1cf7cf7.rdxbin0 -> 113 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/plot_7873ad9c0e1495350681617620f6522d.RDatabin0 -> 2781 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/plot_7873ad9c0e1495350681617620f6522d.rdb0
-rw-r--r--docs/articles/FOCUS_D_cache/html/plot_7873ad9c0e1495350681617620f6522d.rdxbin0 -> 113 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_97560c30ad0c097f3807f1e18320a130.RDatabin3187 -> 0 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_97560c30ad0c097f3807f1e18320a130.rdxbin113 -> 0 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_dde491510c0c9edffde4573123e5fa3b.RDatabin0 -> 4625 bytes
-rw-r--r--docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_dde491510c0c9edffde4573123e5fa3b.rdb0
-rw-r--r--docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_dde491510c0c9edffde4573123e5fa3b.rdxbin0 -> 113 bytes
-rw-r--r--docs/articles/FOCUS_D_files/figure-html/plot-1.pngbin0 -> 74304 bytes
-rw-r--r--docs/articles/FOCUS_D_files/figure-html/plot_2-1.pngbin0 -> 13789 bytes
-rw-r--r--docs/articles/FOCUS_L.html81
-rw-r--r--docs/articles/FOCUS_Z.pdfbin239565 -> 239558 bytes
-rw-r--r--docs/articles/compiled_models.html43
-rw-r--r--docs/articles/compiled_models_files/figure-html/benchmark_FOMC_SFO-1.pngbin9876 -> 9253 bytes
-rw-r--r--docs/articles/compiled_models_files/figure-html/benchmark_SFO_SFO-1.pngbin12134 -> 12123 bytes
-rw-r--r--docs/articles/index.html11
-rw-r--r--docs/articles/mkin.html15
-rw-r--r--docs/articles/mkin_cache/html/__packages9
-rw-r--r--docs/articles/mkin_cache/html/unnamed-chunk-2_60bc93a2c97228ef4815e972498edefa.RDatabin0 -> 3274 bytes
-rw-r--r--docs/articles/mkin_cache/html/unnamed-chunk-2_60bc93a2c97228ef4815e972498edefa.rdbbin0 -> 20269 bytes
-rw-r--r--docs/articles/mkin_cache/html/unnamed-chunk-2_60bc93a2c97228ef4815e972498edefa.rdxbin0 -> 226 bytes
-rw-r--r--docs/articles/mkin_files/figure-html/unnamed-chunk-2-1.pngbin112161 -> 45379 bytes
35 files changed, 102 insertions, 82 deletions
diff --git a/docs/articles/FOCUS_D.html b/docs/articles/FOCUS_D.html
index df259e21..726c8378 100644
--- a/docs/articles/FOCUS_D.html
+++ b/docs/articles/FOCUS_D.html
@@ -16,13 +16,16 @@
</div>
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav"><li>
- <a href="../index.html">Home</a>
+ <a href="../reference/index.html">Reference</a>
</li>
<li>
- <a href="../reference/index.html">Reference</a>
+ <a href="../articles/index.html">Articles</a>
+</li>
+<li>
+ <a href="../news/index.html">News</a>
</li>
</ul><ul class="nav navbar-nav navbar-right"><li>
- <a href="https://github.com/jranke/mkin">
+ <a href="http://github.com/jranke/mkin">
<span class="fa fa-github fa-lg"></span>
</a>
@@ -38,7 +41,7 @@
<h1>Example evaluation of FOCUS Example Dataset D</h1>
<h4 class="author">Johannes Ranke</h4>
- <h4 class="date">2016-10-26</h4>
+ <h4 class="date">2016-11-03</h4>
</div>
@@ -105,16 +108,16 @@
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r">fit &lt;-<span class="st"> </span><span class="kw"><a href="../reference/mkinfit.html">mkinfit</a></span>(SFO_SFO, FOCUS_2006_D, <span class="dt">quiet =</span> <span class="ot">TRUE</span>)</code></pre></div>
<p>A plot of the fit including a residual plot for both observed variables is obtained using the <code>plot</code> method for <code>mkinfit</code> objects.</p>
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">plot</span>(fit, <span class="dt">show_residuals =</span> <span class="ot">TRUE</span>)</code></pre></div>
-<p><img src="FOCUS_D_files/figure-html/unnamed-chunk-5-1.png" width="672"></p>
+<p><img src="FOCUS_D_files/figure-html/plot-1.png" width="672"></p>
<p>Confidence intervals for the parameter estimates are obtained using the <code>mkinparplot</code> function.</p>
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw"><a href="../reference/mkinparplot.html">mkinparplot</a></span>(fit)</code></pre></div>
-<p><img src="FOCUS_D_files/figure-html/unnamed-chunk-6-1.png" width="672"></p>
+<p><img src="FOCUS_D_files/figure-html/plot_2-1.png" width="672"></p>
<p>A comprehensive report of the results is obtained using the <code>summary</code> method for <code>mkinfit</code> objects.</p>
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">summary</span>(fit)</code></pre></div>
<pre><code>## mkin version: 0.9.44.9000
-## R version: 3.3.1
-## Date of fit: Wed Oct 26 23:18:10 2016
-## Date of summary: Wed Oct 26 23:18:10 2016
+## R version: 3.3.2
+## Date of fit: Wed Nov 2 16:25:22 2016
+## Date of summary: Wed Nov 2 16:25:22 2016
##
## Equations:
## d_parent = - k_parent_sink * parent - k_parent_m1 * parent
@@ -122,7 +125,7 @@
##
## Model predictions using solution type deSolve
##
-## Fitted with method Port using 153 model solutions performed in 0.628 s
+## Fitted with method Port using 153 model solutions performed in 0.665 s
##
## Weighting: none
##
@@ -243,7 +246,7 @@
<footer><div class="copyright">
- <p>Developed by Johannes Ranke, Eurofins Regulatory AG.</p>
+ <p>Developed by Johannes Ranke.</p>
</div>
<div class="pkgdown">
diff --git a/docs/articles/FOCUS_D_cache/html/data_df09328a15a9c09625fe6f7d481671d8.RData b/docs/articles/FOCUS_D_cache/html/data_df09328a15a9c09625fe6f7d481671d8.RData
new file mode 100644
index 00000000..969644fa
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/data_df09328a15a9c09625fe6f7d481671d8.RData
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_97560c30ad0c097f3807f1e18320a130.rdb b/docs/articles/FOCUS_D_cache/html/data_df09328a15a9c09625fe6f7d481671d8.rdb
index e69de29b..e69de29b 100644
--- a/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_97560c30ad0c097f3807f1e18320a130.rdb
+++ b/docs/articles/FOCUS_D_cache/html/data_df09328a15a9c09625fe6f7d481671d8.rdb
diff --git a/docs/articles/FOCUS_D_cache/html/data_df09328a15a9c09625fe6f7d481671d8.rdx b/docs/articles/FOCUS_D_cache/html/data_df09328a15a9c09625fe6f7d481671d8.rdx
new file mode 100644
index 00000000..20f10d9f
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/data_df09328a15a9c09625fe6f7d481671d8.rdx
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/fit_449df36a8c1e5c902ad4f45fc76df647.RData b/docs/articles/FOCUS_D_cache/html/fit_449df36a8c1e5c902ad4f45fc76df647.RData
new file mode 100644
index 00000000..17db087e
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/fit_449df36a8c1e5c902ad4f45fc76df647.RData
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/fit_449df36a8c1e5c902ad4f45fc76df647.rdb b/docs/articles/FOCUS_D_cache/html/fit_449df36a8c1e5c902ad4f45fc76df647.rdb
new file mode 100644
index 00000000..42cdbaff
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/fit_449df36a8c1e5c902ad4f45fc76df647.rdb
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/fit_449df36a8c1e5c902ad4f45fc76df647.rdx b/docs/articles/FOCUS_D_cache/html/fit_449df36a8c1e5c902ad4f45fc76df647.rdx
new file mode 100644
index 00000000..5cced058
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/fit_449df36a8c1e5c902ad4f45fc76df647.rdx
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/model_911bdb95adf8c19a8e50c4150b20f2fc.RData b/docs/articles/FOCUS_D_cache/html/model_911bdb95adf8c19a8e50c4150b20f2fc.RData
new file mode 100644
index 00000000..b170a652
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/model_911bdb95adf8c19a8e50c4150b20f2fc.RData
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/model_911bdb95adf8c19a8e50c4150b20f2fc.rdb b/docs/articles/FOCUS_D_cache/html/model_911bdb95adf8c19a8e50c4150b20f2fc.rdb
new file mode 100644
index 00000000..5aae8d68
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/model_911bdb95adf8c19a8e50c4150b20f2fc.rdb
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/model_911bdb95adf8c19a8e50c4150b20f2fc.rdx b/docs/articles/FOCUS_D_cache/html/model_911bdb95adf8c19a8e50c4150b20f2fc.rdx
new file mode 100644
index 00000000..9ecc2d70
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/model_911bdb95adf8c19a8e50c4150b20f2fc.rdx
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/plot_2_3aa531f4c45b3e89e3259e0bb1cf7cf7.RData b/docs/articles/FOCUS_D_cache/html/plot_2_3aa531f4c45b3e89e3259e0bb1cf7cf7.RData
new file mode 100644
index 00000000..95ceef43
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/plot_2_3aa531f4c45b3e89e3259e0bb1cf7cf7.RData
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/plot_2_3aa531f4c45b3e89e3259e0bb1cf7cf7.rdb b/docs/articles/FOCUS_D_cache/html/plot_2_3aa531f4c45b3e89e3259e0bb1cf7cf7.rdb
new file mode 100644
index 00000000..e69de29b
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/plot_2_3aa531f4c45b3e89e3259e0bb1cf7cf7.rdb
diff --git a/docs/articles/FOCUS_D_cache/html/plot_2_3aa531f4c45b3e89e3259e0bb1cf7cf7.rdx b/docs/articles/FOCUS_D_cache/html/plot_2_3aa531f4c45b3e89e3259e0bb1cf7cf7.rdx
new file mode 100644
index 00000000..20f10d9f
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/plot_2_3aa531f4c45b3e89e3259e0bb1cf7cf7.rdx
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/plot_7873ad9c0e1495350681617620f6522d.RData b/docs/articles/FOCUS_D_cache/html/plot_7873ad9c0e1495350681617620f6522d.RData
new file mode 100644
index 00000000..f04428b9
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/plot_7873ad9c0e1495350681617620f6522d.RData
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/plot_7873ad9c0e1495350681617620f6522d.rdb b/docs/articles/FOCUS_D_cache/html/plot_7873ad9c0e1495350681617620f6522d.rdb
new file mode 100644
index 00000000..e69de29b
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/plot_7873ad9c0e1495350681617620f6522d.rdb
diff --git a/docs/articles/FOCUS_D_cache/html/plot_7873ad9c0e1495350681617620f6522d.rdx b/docs/articles/FOCUS_D_cache/html/plot_7873ad9c0e1495350681617620f6522d.rdx
new file mode 100644
index 00000000..20f10d9f
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/plot_7873ad9c0e1495350681617620f6522d.rdx
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_97560c30ad0c097f3807f1e18320a130.RData b/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_97560c30ad0c097f3807f1e18320a130.RData
deleted file mode 100644
index ab5bdfb2..00000000
--- a/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_97560c30ad0c097f3807f1e18320a130.RData
+++ /dev/null
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_97560c30ad0c097f3807f1e18320a130.rdx b/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_97560c30ad0c097f3807f1e18320a130.rdx
deleted file mode 100644
index 4a053a44..00000000
--- a/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_97560c30ad0c097f3807f1e18320a130.rdx
+++ /dev/null
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_dde491510c0c9edffde4573123e5fa3b.RData b/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_dde491510c0c9edffde4573123e5fa3b.RData
new file mode 100644
index 00000000..30ad4f31
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_dde491510c0c9edffde4573123e5fa3b.RData
Binary files differ
diff --git a/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_dde491510c0c9edffde4573123e5fa3b.rdb b/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_dde491510c0c9edffde4573123e5fa3b.rdb
new file mode 100644
index 00000000..e69de29b
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_dde491510c0c9edffde4573123e5fa3b.rdb
diff --git a/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_dde491510c0c9edffde4573123e5fa3b.rdx b/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_dde491510c0c9edffde4573123e5fa3b.rdx
new file mode 100644
index 00000000..20f10d9f
--- /dev/null
+++ b/docs/articles/FOCUS_D_cache/html/unnamed-chunk-2_dde491510c0c9edffde4573123e5fa3b.rdx
Binary files differ
diff --git a/docs/articles/FOCUS_D_files/figure-html/plot-1.png b/docs/articles/FOCUS_D_files/figure-html/plot-1.png
new file mode 100644
index 00000000..c0b0c2db
--- /dev/null
+++ b/docs/articles/FOCUS_D_files/figure-html/plot-1.png
Binary files differ
diff --git a/docs/articles/FOCUS_D_files/figure-html/plot_2-1.png b/docs/articles/FOCUS_D_files/figure-html/plot_2-1.png
new file mode 100644
index 00000000..6700e527
--- /dev/null
+++ b/docs/articles/FOCUS_D_files/figure-html/plot_2-1.png
Binary files differ
diff --git a/docs/articles/FOCUS_L.html b/docs/articles/FOCUS_L.html
index cb3096e0..55caa22e 100644
--- a/docs/articles/FOCUS_L.html
+++ b/docs/articles/FOCUS_L.html
@@ -16,13 +16,16 @@
</div>
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav"><li>
- <a href="../index.html">Home</a>
+ <a href="../reference/index.html">Reference</a>
</li>
<li>
- <a href="../reference/index.html">Reference</a>
+ <a href="../articles/index.html">Articles</a>
+</li>
+<li>
+ <a href="../news/index.html">News</a>
</li>
</ul><ul class="nav navbar-nav navbar-right"><li>
- <a href="https://github.com/jranke/mkin">
+ <a href="http://github.com/jranke/mkin">
<span class="fa fa-github fa-lg"></span>
</a>
@@ -38,7 +41,7 @@
<h1>Example evaluation of FOCUS Laboratory Data L1 to L3</h1>
<h4 class="author">Johannes Ranke</h4>
- <h4 class="date">2016-10-26</h4>
+ <h4 class="date">2016-11-03</h4>
</div>
@@ -59,16 +62,16 @@ FOCUS_2006_L1_mkin &lt;-<span class="st"> </span><span class="kw"><a href="../re
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r">m.L1.SFO &lt;-<span class="st"> </span><span class="kw"><a href="../reference/mkinfit.html">mkinfit</a></span>(<span class="st">"SFO"</span>, FOCUS_2006_L1_mkin, <span class="dt">quiet =</span> <span class="ot">TRUE</span>)
<span class="kw">summary</span>(m.L1.SFO)</code></pre></div>
<pre><code>## mkin version: 0.9.44.9000
-## R version: 3.3.1
-## Date of fit: Wed Oct 26 23:18:11 2016
-## Date of summary: Wed Oct 26 23:18:11 2016
+## R version: 3.3.2
+## Date of fit: Thu Nov 3 17:47:48 2016
+## Date of summary: Thu Nov 3 17:47:48 2016
##
## Equations:
## d_parent = - k_parent_sink * parent
##
## Model predictions using solution type analytical
##
-## Fitted with method Port using 37 model solutions performed in 0.089 s
+## Fitted with method Port using 37 model solutions performed in 0.093 s
##
## Weighting: none
##
@@ -152,9 +155,9 @@ FOCUS_2006_L1_mkin &lt;-<span class="st"> </span><span class="kw"><a href="../re
<p><img src="FOCUS_L_files/figure-html/unnamed-chunk-6-1.png" width="576"></p>
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">summary</span>(m.L1.FOMC, <span class="dt">data =</span> <span class="ot">FALSE</span>)</code></pre></div>
<pre><code>## mkin version: 0.9.44.9000
-## R version: 3.3.1
-## Date of fit: Wed Oct 26 23:18:12 2016
-## Date of summary: Wed Oct 26 23:18:12 2016
+## R version: 3.3.2
+## Date of fit: Thu Nov 3 17:47:49 2016
+## Date of summary: Thu Nov 3 17:47:49 2016
##
##
## Warning: Optimisation by method Port did not converge.
@@ -166,7 +169,7 @@ FOCUS_2006_L1_mkin &lt;-<span class="st"> </span><span class="kw"><a href="../re
##
## Model predictions using solution type analytical
##
-## Fitted with method Port using 188 model solutions performed in 0.434 s
+## Fitted with method Port using 188 model solutions performed in 0.447 s
##
## Weighting: none
##
@@ -249,16 +252,16 @@ FOCUS_2006_L2_mkin &lt;-<span class="st"> </span><span class="kw"><a href="../re
<p><img src="FOCUS_L_files/figure-html/unnamed-chunk-9-1.png" width="672"></p>
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">summary</span>(m.L2.FOMC, <span class="dt">data =</span> <span class="ot">FALSE</span>)</code></pre></div>
<pre><code>## mkin version: 0.9.44.9000
-## R version: 3.3.1
-## Date of fit: Wed Oct 26 23:18:12 2016
-## Date of summary: Wed Oct 26 23:18:12 2016
+## R version: 3.3.2
+## Date of fit: Thu Nov 3 17:47:49 2016
+## Date of summary: Thu Nov 3 17:47:49 2016
##
## Equations:
## d_parent = - (alpha/beta) * 1/((time/beta) + 1) * parent
##
## Model predictions using solution type analytical
##
-## Fitted with method Port using 81 model solutions performed in 0.191 s
+## Fitted with method Port using 81 model solutions performed in 0.189 s
##
## Weighting: none
##
@@ -319,9 +322,9 @@ FOCUS_2006_L2_mkin &lt;-<span class="st"> </span><span class="kw"><a href="../re
<p><img src="FOCUS_L_files/figure-html/unnamed-chunk-10-1.png" width="672"></p>
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">summary</span>(m.L2.DFOP, <span class="dt">data =</span> <span class="ot">FALSE</span>)</code></pre></div>
<pre><code>## mkin version: 0.9.44.9000
-## R version: 3.3.1
-## Date of fit: Wed Oct 26 23:18:13 2016
-## Date of summary: Wed Oct 26 23:18:14 2016
+## R version: 3.3.2
+## Date of fit: Thu Nov 3 17:47:50 2016
+## Date of summary: Thu Nov 3 17:47:50 2016
##
## Equations:
## d_parent = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *
@@ -330,7 +333,7 @@ FOCUS_2006_L2_mkin &lt;-<span class="st"> </span><span class="kw"><a href="../re
##
## Model predictions using solution type analytical
##
-## Fitted with method Port using 336 model solutions performed in 0.803 s
+## Fitted with method Port using 336 model solutions performed in 0.836 s
##
## Weighting: none
##
@@ -392,8 +395,8 @@ FOCUS_2006_L2_mkin &lt;-<span class="st"> </span><span class="kw"><a href="../re
<span class="dt">t =</span> <span class="kw">c</span>(<span class="dv">0</span>, <span class="dv">3</span>, <span class="dv">7</span>, <span class="dv">14</span>, <span class="dv">30</span>, <span class="dv">60</span>, <span class="dv">91</span>, <span class="dv">120</span>),
<span class="dt">parent =</span> <span class="kw">c</span>(<span class="fl">97.8</span>, <span class="dv">60</span>, <span class="dv">51</span>, <span class="dv">43</span>, <span class="dv">35</span>, <span class="dv">22</span>, <span class="dv">15</span>, <span class="dv">12</span>))
FOCUS_2006_L3_mkin &lt;-<span class="st"> </span><span class="kw"><a href="../reference/mkin_wide_to_long.html">mkin_wide_to_long</a></span>(FOCUS_2006_L3)</code></pre></div>
-<div id="use-mmkin-to-fit-multiple-models" class="section level2">
-<h2 class="hasAnchor"><html><body><a href="#use-mmkin-to-fit-multiple-models" class="anchor"> </a></body></html>Use mmkin to fit multiple models</h2>
+<div id="fit-multiple-models" class="section level2">
+<h2 class="hasAnchor"><html><body><a href="#fit-multiple-models" class="anchor"> </a></body></html>Fit multiple models</h2>
<p>As of mkin version 0.9-39 (June 2015), we can fit several models to one or more datasets in one call to the function <code>mmkin</code>. The datasets have to be passed in a list, in this case a named list holding only the L3 dataset prepared above.</p>
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="co"># Only use one core here, not to offend the CRAN checks</span>
mm.L3 &lt;-<span class="st"> </span><span class="kw"><a href="../reference/mmkin.html">mmkin</a></span>(<span class="kw">c</span>(<span class="st">"SFO"</span>, <span class="st">"FOMC"</span>, <span class="st">"DFOP"</span>), <span class="dt">cores =</span> <span class="dv">1</span>,
@@ -402,15 +405,15 @@ mm.L3 &lt;-<span class="st"> </span><span class="kw"><a href="../reference/mmkin
<p><img src="FOCUS_L_files/figure-html/unnamed-chunk-12-1.png" width="672"></p>
<p>The <span class="math inline">\(\chi^2\)</span> error level of 21% as well as the plot suggest that the SFO model does not fit very well. The FOMC model performs better, with an error level at which the <span class="math inline">\(\chi^2\)</span> test passes of 7%. Fitting the four parameter DFOP model further reduces the <span class="math inline">\(\chi^2\)</span> error level considerably.</p>
</div>
-<div id="accessing-elements-of-mmkin-objects" class="section level2">
-<h2 class="hasAnchor"><html><body><a href="#accessing-elements-of-mmkin-objects" class="anchor"> </a></body></html>Accessing elements of mmkin objects</h2>
+<div id="accessing-mmkin-objects" class="section level2">
+<h2 class="hasAnchor"><html><body><a href="#accessing-mmkin-objects" class="anchor"> </a></body></html>Accessing mmkin objects</h2>
<p>The objects returned by mmkin are arranged like a matrix, with models as a row index and datasets as a column index.</p>
<p>We can extract the summary and plot for <em>e.g.</em> the DFOP fit, using square brackets for indexing which will result in the use of the summary and plot functions working on mkinfit objects.</p>
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">summary</span>(mm.L3[[<span class="st">"DFOP"</span>, <span class="dv">1</span>]])</code></pre></div>
<pre><code>## mkin version: 0.9.44.9000
-## R version: 3.3.1
-## Date of fit: Wed Oct 26 23:18:15 2016
-## Date of summary: Wed Oct 26 23:18:15 2016
+## R version: 3.3.2
+## Date of fit: Thu Nov 3 17:47:51 2016
+## Date of summary: Thu Nov 3 17:47:52 2016
##
## Equations:
## d_parent = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *
@@ -419,7 +422,7 @@ mm.L3 &lt;-<span class="st"> </span><span class="kw"><a href="../reference/mmkin
##
## Model predictions using solution type analytical
##
-## Fitted with method Port using 137 model solutions performed in 0.323 s
+## Fitted with method Port using 137 model solutions performed in 0.328 s
##
## Weighting: none
##
@@ -508,16 +511,16 @@ mm.L4 &lt;-<span class="st"> </span><span class="kw"><a href="../reference/mmkin
<p>The <span class="math inline">\(\chi^2\)</span> error level of 3.3% as well as the plot suggest that the SFO model fits very well. The error level at which the <span class="math inline">\(\chi^2\)</span> test passes is slightly lower for the FOMC model. However, the difference appears negligible.</p>
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">summary</span>(mm.L4[[<span class="st">"SFO"</span>, <span class="dv">1</span>]], <span class="dt">data =</span> <span class="ot">FALSE</span>)</code></pre></div>
<pre><code>## mkin version: 0.9.44.9000
-## R version: 3.3.1
-## Date of fit: Wed Oct 26 23:18:15 2016
-## Date of summary: Wed Oct 26 23:18:16 2016
+## R version: 3.3.2
+## Date of fit: Thu Nov 3 17:47:52 2016
+## Date of summary: Thu Nov 3 17:47:52 2016
##
## Equations:
## d_parent = - k_parent_sink * parent
##
## Model predictions using solution type analytical
##
-## Fitted with method Port using 46 model solutions performed in 0.108 s
+## Fitted with method Port using 46 model solutions performed in 0.107 s
##
## Weighting: none
##
@@ -568,16 +571,16 @@ mm.L4 &lt;-<span class="st"> </span><span class="kw"><a href="../reference/mmkin
## parent 106 352</code></pre>
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">summary</span>(mm.L4[[<span class="st">"FOMC"</span>, <span class="dv">1</span>]], <span class="dt">data =</span> <span class="ot">FALSE</span>)</code></pre></div>
<pre><code>## mkin version: 0.9.44.9000
-## R version: 3.3.1
-## Date of fit: Wed Oct 26 23:18:16 2016
-## Date of summary: Wed Oct 26 23:18:16 2016
+## R version: 3.3.2
+## Date of fit: Thu Nov 3 17:47:52 2016
+## Date of summary: Thu Nov 3 17:47:52 2016
##
## Equations:
## d_parent = - (alpha/beta) * 1/((time/beta) + 1) * parent
##
## Model predictions using solution type analytical
##
-## Fitted with method Port using 66 model solutions performed in 0.151 s
+## Fitted with method Port using 66 model solutions performed in 0.148 s
##
## Weighting: none
##
@@ -647,8 +650,8 @@ mm.L4 &lt;-<span class="st"> </span><span class="kw"><a href="../reference/mmkin
<li><a href="#fomc-fit-for-l2">FOMC fit for L2</a></li>
<li><a href="#dfop-fit-for-l2">DFOP fit for L2</a></li>
</ul></li>
- <li><a href="#laboratory-data-l3">Laboratory Data L3</a><ul class="nav nav-pills nav-stacked"><li><a href="#use-mmkin-to-fit-multiple-models">Use mmkin to fit multiple models</a></li>
- <li><a href="#accessing-elements-of-mmkin-objects">Accessing elements of mmkin objects</a></li>
+ <li><a href="#laboratory-data-l3">Laboratory Data L3</a><ul class="nav nav-pills nav-stacked"><li><a href="#fit-multiple-models">Fit multiple models</a></li>
+ <li><a href="#accessing-mmkin-objects">Accessing mmkin objects</a></li>
</ul></li>
<li><a href="#laboratory-data-l4">Laboratory Data L4</a></li>
<li><a href="#references">References</a></li>
@@ -659,7 +662,7 @@ mm.L4 &lt;-<span class="st"> </span><span class="kw"><a href="../reference/mmkin
<footer><div class="copyright">
- <p>Developed by Johannes Ranke, Eurofins Regulatory AG.</p>
+ <p>Developed by Johannes Ranke.</p>
</div>
<div class="pkgdown">
diff --git a/docs/articles/FOCUS_Z.pdf b/docs/articles/FOCUS_Z.pdf
index bc37c873..6f71d018 100644
--- a/docs/articles/FOCUS_Z.pdf
+++ b/docs/articles/FOCUS_Z.pdf
Binary files differ
diff --git a/docs/articles/compiled_models.html b/docs/articles/compiled_models.html
index e02b9cf3..5a04168e 100644
--- a/docs/articles/compiled_models.html
+++ b/docs/articles/compiled_models.html
@@ -16,13 +16,16 @@
</div>
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav"><li>
- <a href="../index.html">Home</a>
+ <a href="../reference/index.html">Reference</a>
</li>
<li>
- <a href="../reference/index.html">Reference</a>
+ <a href="../articles/index.html">Articles</a>
+</li>
+<li>
+ <a href="../news/index.html">News</a>
</li>
</ul><ul class="nav navbar-nav navbar-right"><li>
- <a href="https://github.com/jranke/mkin">
+ <a href="http://github.com/jranke/mkin">
<span class="fa fa-github fa-lg"></span>
</a>
@@ -38,7 +41,7 @@
<h1>Performance benefit by using compiled model definitions in mkin</h1>
<h4 class="author">Johannes Ranke</h4>
- <h4 class="date">2016-10-26</h4>
+ <h4 class="date">2016-11-03</h4>
</div>
@@ -75,21 +78,21 @@ mb<span class="fl">.1</span> &lt;-<span class="st"> </span><span class="kw">micr
<span class="kw">print</span>(mb<span class="fl">.1</span>)</code></pre></div>
<pre><code>## Unit: milliseconds
## expr min lq mean median uq
-## deSolve, not compiled 6298.7342 6308.6792 6343.9668 6318.6243 6366.5831
-## Eigenvalue based 871.7379 880.7757 903.5267 889.8135 919.4211
-## deSolve, compiled 724.9025 730.6729 732.9837 736.4432 737.0243
+## deSolve, not compiled 6306.4527 6340.7895 6403.5937 6375.1264 6452.1643
+## Eigenvalue based 918.0808 929.7217 948.9742 941.3626 964.4210
+## deSolve, compiled 736.1337 753.6016 773.5605 771.0696 792.2739
## max neval cld
-## 6414.5420 3 c
-## 949.0287 3 b
-## 737.6054 3 a</code></pre>
+## 6529.2022 3 b
+## 987.4793 3 a
+## 813.4783 3 a</code></pre>
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">autoplot</span>(mb<span class="fl">.1</span>)</code></pre></div>
<p><img src="compiled_models_files/figure-html/benchmark_SFO_SFO-1.png" width="672"></p>
-<p>We see that using the compiled model is by a factor of 8.6 faster than using the R version with the default ode solver, and it is even faster than the Eigenvalue based solution implemented in R which does not need iterative solution of the ODEs:</p>
+<p>We see that using the compiled model is by a factor of 8.3 faster than using the R version with the default ode solver, and it is even faster than the Eigenvalue based solution implemented in R which does not need iterative solution of the ODEs:</p>
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">rownames</span>(smb<span class="fl">.1</span>) &lt;-<span class="st"> </span>smb<span class="fl">.1</span>$expr
smb<span class="fl">.1</span>[<span class="st">"median"</span>]/smb<span class="fl">.1</span>[<span class="st">"deSolve, compiled"</span>, <span class="st">"median"</span>]</code></pre></div>
<pre><code>## median
-## deSolve, not compiled 8.579920
-## Eigenvalue based 1.208258
+## deSolve, not compiled 8.267900
+## Eigenvalue based 1.220853
## deSolve, compiled 1.000000</code></pre>
</div>
<div id="benchmark-for-a-model-that-can-not-be-solved-with-eigenvalues" class="section level2">
@@ -111,20 +114,20 @@ smb<span class="fl">.1</span>[<span class="st">"median"</span>]/smb<span class="
<span class="kw">print</span>(mb<span class="fl">.2</span>)</code></pre></div>
<pre><code>## Unit: seconds
## expr min lq mean median uq
-## deSolve, not compiled 13.265212 13.330161 13.412053 13.395109 13.485473
-## deSolve, compiled 1.322466 1.326851 1.364827 1.331236 1.386007
+## deSolve, not compiled 13.604720 13.667244 13.689764 13.729768 13.732286
+## deSolve, compiled 1.305077 1.311124 1.328943 1.317172 1.340876
## max neval cld
-## 13.575837 3 b
-## 1.440779 3 a</code></pre>
+## 13.734804 3 b
+## 1.364579 3 a</code></pre>
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r">smb<span class="fl">.2</span>[<span class="st">"median"</span>]/smb<span class="fl">.2</span>[<span class="st">"deSolve, compiled"</span>, <span class="st">"median"</span>]</code></pre></div>
<pre><code>## median
## 1 NA
## 2 NA</code></pre>
<div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">autoplot</span>(mb<span class="fl">.2</span>)</code></pre></div>
<p><img src="compiled_models_files/figure-html/benchmark_FOMC_SFO-1.png" width="672"></p>
-<p>Here we get a performance benefit of a factor of 10.1 using the version of the differential equation model compiled from C code!</p>
+<p>Here we get a performance benefit of a factor of 10.4 using the version of the differential equation model compiled from C code!</p>
<p>This vignette was built with mkin 0.9.44.9000 on</p>
-<pre><code>## R version 3.3.1 (2016-06-21)
+<pre><code>## R version 3.3.2 (2016-10-31)
## Platform: x86_64-pc-linux-gnu (64-bit)
## Running under: Debian GNU/Linux 8 (jessie)</code></pre>
<pre><code>## CPU model: Intel(R) Core(TM) i7-4710MQ CPU @ 2.50GHz</code></pre>
@@ -144,7 +147,7 @@ smb<span class="fl">.1</span>[<span class="st">"median"</span>]/smb<span class="
<footer><div class="copyright">
- <p>Developed by Johannes Ranke, Eurofins Regulatory AG.</p>
+ <p>Developed by Johannes Ranke.</p>
</div>
<div class="pkgdown">
diff --git a/docs/articles/compiled_models_files/figure-html/benchmark_FOMC_SFO-1.png b/docs/articles/compiled_models_files/figure-html/benchmark_FOMC_SFO-1.png
index bba259d6..eec55773 100644
--- a/docs/articles/compiled_models_files/figure-html/benchmark_FOMC_SFO-1.png
+++ b/docs/articles/compiled_models_files/figure-html/benchmark_FOMC_SFO-1.png
Binary files differ
diff --git a/docs/articles/compiled_models_files/figure-html/benchmark_SFO_SFO-1.png b/docs/articles/compiled_models_files/figure-html/benchmark_SFO_SFO-1.png
index 6b732075..b043c13b 100644
--- a/docs/articles/compiled_models_files/figure-html/benchmark_SFO_SFO-1.png
+++ b/docs/articles/compiled_models_files/figure-html/benchmark_SFO_SFO-1.png
Binary files differ
diff --git a/docs/articles/index.html b/docs/articles/index.html
index 9994716d..cd6a7bea 100644
--- a/docs/articles/index.html
+++ b/docs/articles/index.html
@@ -49,16 +49,19 @@
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
- <a href="../index.html">Home</a>
+ <a href="../reference/index.html">Reference</a>
</li>
<li>
- <a href="../reference/index.html">Reference</a>
+ <a href="../articles/index.html">Articles</a>
+</li>
+<li>
+ <a href="../news/index.html">News</a>
</li>
</ul>
<ul class="nav navbar-nav navbar-right">
<li>
- <a href="https://github.com/jranke/mkin">
+ <a href="http://github.com/jranke/mkin">
<span class="fa fa-github fa-lg"></span>
</a>
@@ -93,7 +96,7 @@
<footer>
<div class="copyright">
- <p>Developed by Johannes Ranke, Eurofins Regulatory AG.</p>
+ <p>Developed by Johannes Ranke.</p>
</div>
<div class="pkgdown">
diff --git a/docs/articles/mkin.html b/docs/articles/mkin.html
index 74d8ccca..dafaa0e4 100644
--- a/docs/articles/mkin.html
+++ b/docs/articles/mkin.html
@@ -16,13 +16,16 @@
</div>
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav"><li>
- <a href="../index.html">Home</a>
+ <a href="../reference/index.html">Reference</a>
</li>
<li>
- <a href="../reference/index.html">Reference</a>
+ <a href="../articles/index.html">Articles</a>
+</li>
+<li>
+ <a href="../news/index.html">News</a>
</li>
</ul><ul class="nav navbar-nav navbar-right"><li>
- <a href="https://github.com/jranke/mkin">
+ <a href="http://github.com/jranke/mkin">
<span class="fa fa-github fa-lg"></span>
</a>
@@ -38,7 +41,7 @@
<h1>mkin - Kinetic evaluation of chemical degradation data</h1>
<h4 class="author">Johannes Ranke</h4>
- <h4 class="date">2016-10-26</h4>
+ <h4 class="date">2016-11-03</h4>
</div>
@@ -67,7 +70,7 @@ d_SFO_SFO_SFO_err &lt;-<span class="st"> </span><span class="kw"><a href="../ref
f_SFO_SFO_SFO &lt;-<span class="st"> </span><span class="kw"><a href="../reference/mkinfit.html">mkinfit</a></span>(m_SFO_SFO_SFO, d_SFO_SFO_SFO_err[[<span class="dv">1</span>]], <span class="dt">quiet =</span> <span class="ot">TRUE</span>)
-<span class="kw"><a href="../reference/plot.mkinfit.html">plot_sep</a></span>(f_SFO_SFO_SFO, <span class="dt">lpos =</span> <span class="kw">c</span>(<span class="st">"topright"</span>, <span class="st">"bottomright"</span>, <span class="st">"bottomright"</span>))</code></pre></div>
+<span class="kw">plot_sep</span>(f_SFO_SFO_SFO, <span class="dt">lpos =</span> <span class="kw">c</span>(<span class="st">"topright"</span>, <span class="st">"bottomright"</span>, <span class="st">"bottomright"</span>))</code></pre></div>
<p><img src="mkin_files/figure-html/unnamed-chunk-2-1.png" width="768"></p>
</div>
<div id="background" class="section level1">
@@ -169,7 +172,7 @@ f_SFO_SFO_SFO &lt;-<span class="st"> </span><span class="kw"><a href="../referen
<footer><div class="copyright">
- <p>Developed by Johannes Ranke, Eurofins Regulatory AG.</p>
+ <p>Developed by Johannes Ranke.</p>
</div>
<div class="pkgdown">
diff --git a/docs/articles/mkin_cache/html/__packages b/docs/articles/mkin_cache/html/__packages
index c8b1e877..03ece635 100644
--- a/docs/articles/mkin_cache/html/__packages
+++ b/docs/articles/mkin_cache/html/__packages
@@ -1,8 +1,13 @@
base
+datasets
+utils
+grDevices
+graphics
+stats
knitr
minpack.lm
rootSolve
+methods
inline
+parallel
mkin
-microbenchmark
-ggplot2
diff --git a/docs/articles/mkin_cache/html/unnamed-chunk-2_60bc93a2c97228ef4815e972498edefa.RData b/docs/articles/mkin_cache/html/unnamed-chunk-2_60bc93a2c97228ef4815e972498edefa.RData
new file mode 100644
index 00000000..d11ccf31
--- /dev/null
+++ b/docs/articles/mkin_cache/html/unnamed-chunk-2_60bc93a2c97228ef4815e972498edefa.RData
Binary files differ
diff --git a/docs/articles/mkin_cache/html/unnamed-chunk-2_60bc93a2c97228ef4815e972498edefa.rdb b/docs/articles/mkin_cache/html/unnamed-chunk-2_60bc93a2c97228ef4815e972498edefa.rdb
new file mode 100644
index 00000000..5ac4f484
--- /dev/null
+++ b/docs/articles/mkin_cache/html/unnamed-chunk-2_60bc93a2c97228ef4815e972498edefa.rdb
Binary files differ
diff --git a/docs/articles/mkin_cache/html/unnamed-chunk-2_60bc93a2c97228ef4815e972498edefa.rdx b/docs/articles/mkin_cache/html/unnamed-chunk-2_60bc93a2c97228ef4815e972498edefa.rdx
new file mode 100644
index 00000000..8983f69e
--- /dev/null
+++ b/docs/articles/mkin_cache/html/unnamed-chunk-2_60bc93a2c97228ef4815e972498edefa.rdx
Binary files differ
diff --git a/docs/articles/mkin_files/figure-html/unnamed-chunk-2-1.png b/docs/articles/mkin_files/figure-html/unnamed-chunk-2-1.png
index d34e3805..2e7e2244 100644
--- a/docs/articles/mkin_files/figure-html/unnamed-chunk-2-1.png
+++ b/docs/articles/mkin_files/figure-html/unnamed-chunk-2-1.png
Binary files differ

Contact - Imprint