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-rw-r--r--docs/articles/web_only/FOCUS_Z.html42
-rw-r--r--docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_10-1.pngbin107009 -> 107009 bytes
-rw-r--r--docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11-1.pngbin106095 -> 106098 bytes
-rw-r--r--docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11a-1.pngbin76831 -> 76831 bytes
-rw-r--r--docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11b-1.pngbin37495 -> 37494 bytes
-rw-r--r--docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_5-1.pngbin81750 -> 81751 bytes
-rw-r--r--docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_6-1.pngbin106404 -> 106406 bytes
-rw-r--r--docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_9-1.pngbin89119 -> 89110 bytes
-rw-r--r--docs/articles/web_only/NAFTA_examples.html189
-rw-r--r--docs/articles/web_only/NAFTA_examples_files/figure-html/p10-1.pngbin81540 -> 81542 bytes
-rw-r--r--docs/articles/web_only/NAFTA_examples_files/figure-html/p15a-1.pngbin77571 -> 77580 bytes
-rw-r--r--docs/articles/web_only/NAFTA_examples_files/figure-html/p15b-1.pngbin79748 -> 79748 bytes
-rw-r--r--docs/articles/web_only/NAFTA_examples_files/figure-html/p5b-1.pngbin81186 -> 81186 bytes
-rw-r--r--docs/articles/web_only/NAFTA_examples_files/figure-html/p6-1.pngbin83142 -> 83142 bytes
-rw-r--r--docs/articles/web_only/NAFTA_examples_files/figure-html/p7-1.pngbin102935 -> 102934 bytes
-rw-r--r--docs/articles/web_only/benchmarks.html33
-rw-r--r--docs/articles/web_only/compiled_models.html22
-rw-r--r--docs/articles/web_only/dimethenamid_2018.html55
-rw-r--r--docs/articles/web_only/multistart.html28
-rw-r--r--docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-3-1.pngbin66934 -> 65359 bytes
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-rw-r--r--docs/articles/web_only/saem_benchmarks.html53
23 files changed, 242 insertions, 180 deletions
diff --git a/docs/articles/web_only/FOCUS_Z.html b/docs/articles/web_only/FOCUS_Z.html
index 9602adb5..4cda45e3 100644
--- a/docs/articles/web_only/FOCUS_Z.html
+++ b/docs/articles/web_only/FOCUS_Z.html
@@ -33,7 +33,7 @@
</button>
<span class="navbar-brand">
<a class="navbar-link" href="../../index.html">mkin</a>
- <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.3</span>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.4</span>
</span>
</div>
@@ -134,7 +134,7 @@
Ranke</h4>
<h4 data-toc-skip class="date">Last change 16 January 2018
-(rebuilt 2023-04-20)</h4>
+(rebuilt 2023-05-19)</h4>
<small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/vignettes/web_only/FOCUS_Z.rmd" class="external-link"><code>vignettes/web_only/FOCUS_Z.rmd</code></a></small>
<div class="hidden name"><code>FOCUS_Z.rmd</code></div>
@@ -189,7 +189,7 @@ pathway from parent directly to sink included (default in mkin).</p>
<code class="sourceCode R"><span><span class="fu"><a href="../../reference/plot.mkinfit.html">plot_sep</a></span><span class="op">(</span><span class="va">m.Z.2a</span><span class="op">)</span></span></code></pre></div>
<p><img src="FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_1-1.png" width="700"></p>
<div class="sourceCode" id="cb7"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/summary.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">m.Z.2a</span>, data <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span><span class="op">$</span><span class="va">bpar</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/pkg/saemix/man/summary-methods.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">m.Z.2a</span>, data <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span><span class="op">$</span><span class="va">bpar</span></span></code></pre></div>
<pre><code><span><span class="co">## Estimate se_notrans t value Pr(&gt;t) Lower Upper</span></span>
<span><span class="co">## Z0_0 97.01488 3.301084 29.3888 3.2971e-21 91.66556 102.3642</span></span>
<span><span class="co">## k_Z0 2.23601 0.207078 10.7979 3.3309e-11 1.95303 2.5600</span></span>
@@ -217,7 +217,7 @@ the model formulation:</p>
<code class="sourceCode R"><span><span class="fu"><a href="../../reference/plot.mkinfit.html">plot_sep</a></span><span class="op">(</span><span class="va">m.Z.2a.ff</span><span class="op">)</span></span></code></pre></div>
<p><img src="FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_2-1.png" width="700"></p>
<div class="sourceCode" id="cb14"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/summary.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">m.Z.2a.ff</span>, data <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span><span class="op">$</span><span class="va">bpar</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/pkg/saemix/man/summary-methods.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">m.Z.2a.ff</span>, data <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span><span class="op">$</span><span class="va">bpar</span></span></code></pre></div>
<pre><code><span><span class="co">## Estimate se_notrans t value Pr(&gt;t) Lower Upper</span></span>
<span><span class="co">## Z0_0 97.01488 3.301084 29.3888 3.2971e-21 91.66556 102.3642</span></span>
<span><span class="co">## k_Z0 2.23601 0.207078 10.7979 3.3309e-11 1.95303 2.5600</span></span>
@@ -247,7 +247,7 @@ previous fit when adding a further metabolite.</p>
<code class="sourceCode R"><span><span class="fu"><a href="../../reference/plot.mkinfit.html">plot_sep</a></span><span class="op">(</span><span class="va">m.Z.3</span><span class="op">)</span></span></code></pre></div>
<p><img src="FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_3-1.png" width="700"></p>
<div class="sourceCode" id="cb21"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/summary.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">m.Z.3</span>, data <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span><span class="op">$</span><span class="va">bpar</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/pkg/saemix/man/summary-methods.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">m.Z.3</span>, data <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span><span class="op">$</span><span class="va">bpar</span></span></code></pre></div>
<pre><code><span><span class="co">## Estimate se_notrans t value Pr(&gt;t) Lower Upper</span></span>
<span><span class="co">## Z0_0 97.01488 2.597342 37.352 2.0106e-24 91.67597 102.3538</span></span>
<span><span class="co">## k_Z0 2.23601 0.146904 15.221 9.1477e-15 1.95354 2.5593</span></span>
@@ -299,27 +299,27 @@ accelerate the optimization.</p>
<code class="sourceCode R"><span><span class="fu"><a href="../../reference/plot.mkinfit.html">plot_sep</a></span><span class="op">(</span><span class="va">m.Z.FOCUS</span><span class="op">)</span></span></code></pre></div>
<p><img src="FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_6-1.png" width="700"></p>
<div class="sourceCode" id="cb34"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/summary.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">m.Z.FOCUS</span>, data <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span><span class="op">$</span><span class="va">bpar</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/pkg/saemix/man/summary-methods.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">m.Z.FOCUS</span>, data <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span><span class="op">$</span><span class="va">bpar</span></span></code></pre></div>
<pre><code><span><span class="co">## Estimate se_notrans t value Pr(&gt;t) Lower Upper</span></span>
-<span><span class="co">## Z0_0 96.838822 1.994274 48.5584 4.0280e-42 92.826981 100.850664</span></span>
-<span><span class="co">## k_Z0 2.215393 0.118458 18.7019 1.0413e-23 1.989456 2.466989</span></span>
-<span><span class="co">## k_Z1 0.478305 0.028258 16.9266 6.2418e-22 0.424708 0.538666</span></span>
-<span><span class="co">## k_Z2 0.451627 0.042139 10.7176 1.6314e-14 0.374339 0.544872</span></span>
-<span><span class="co">## k_Z3 0.058692 0.015245 3.8499 1.7803e-04 0.034808 0.098965</span></span>
-<span><span class="co">## f_Z2_to_Z3 0.471502 0.058351 8.0805 9.6608e-11 0.357769 0.588274</span></span>
-<span><span class="co">## sigma 3.984431 0.383402 10.3923 4.5575e-14 3.213126 4.755736</span></span></code></pre>
+<span><span class="co">## Z0_0 96.842440 1.994291 48.5598 4.0226e-42 92.830421 100.854459</span></span>
+<span><span class="co">## k_Z0 2.215425 0.118457 18.7023 1.0404e-23 1.989490 2.467019</span></span>
+<span><span class="co">## k_Z1 0.478307 0.028257 16.9272 6.2332e-22 0.424709 0.538669</span></span>
+<span><span class="co">## k_Z2 0.451642 0.042139 10.7178 1.6304e-14 0.374348 0.544894</span></span>
+<span><span class="co">## k_Z3 0.058692 0.015245 3.8499 1.7803e-04 0.034804 0.098975</span></span>
+<span><span class="co">## f_Z2_to_Z3 0.471483 0.058348 8.0806 9.6585e-11 0.357720 0.588287</span></span>
+<span><span class="co">## sigma 3.984431 0.383402 10.3923 4.5576e-14 3.213126 4.755737</span></span></code></pre>
<div class="sourceCode" id="cb36"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="../../reference/endpoints.html">endpoints</a></span><span class="op">(</span><span class="va">m.Z.FOCUS</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## $ff</span></span>
<span><span class="co">## Z2_Z3 Z2_sink </span></span>
-<span><span class="co">## 0.4715 0.5285 </span></span>
+<span><span class="co">## 0.47148 0.52852 </span></span>
<span><span class="co">## </span></span>
<span><span class="co">## $distimes</span></span>
<span><span class="co">## DT50 DT90</span></span>
-<span><span class="co">## Z0 0.31288 1.0394</span></span>
-<span><span class="co">## Z1 1.44917 4.8141</span></span>
-<span><span class="co">## Z2 1.53478 5.0984</span></span>
-<span><span class="co">## Z3 11.80986 39.2315</span></span></code></pre>
+<span><span class="co">## Z0 0.31287 1.0393</span></span>
+<span><span class="co">## Z1 1.44917 4.8140</span></span>
+<span><span class="co">## Z2 1.53473 5.0983</span></span>
+<span><span class="co">## Z3 11.80991 39.2317</span></span></code></pre>
<p>This fit corresponds to the final result chosen in Appendix 7 of the
FOCUS report. Confidence intervals returned by mkin are based on
internally transformed parameters, however.</p>
@@ -350,7 +350,7 @@ improved. However, the covariance matrix is not returned.</p>
<code class="sourceCode R"><span><span class="fu"><a href="../../reference/plot.mkinfit.html">plot_sep</a></span><span class="op">(</span><span class="va">m.Z.mkin.1</span><span class="op">)</span></span></code></pre></div>
<p><img src="FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_7-1.png" width="700"></p>
<div class="sourceCode" id="cb43"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/summary.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">m.Z.mkin.1</span>, data <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span><span class="op">$</span><span class="va">cov.unscaled</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/pkg/saemix/man/summary-methods.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">m.Z.mkin.1</span>, data <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span><span class="op">$</span><span class="va">cov.unscaled</span></span></code></pre></div>
<pre><code><span><span class="co">## NULL</span></span></code></pre>
<p>Therefore, a further stepwise model building is performed starting
from the stage of parent and two metabolites, starting from the
@@ -442,11 +442,11 @@ obtained.</p>
<span><span class="co">## </span></span>
<span><span class="co">## $SFORB</span></span>
<span><span class="co">## Z0_b1 Z0_b2 Z0_g Z3_b1 Z3_b2 Z3_g </span></span>
-<span><span class="co">## 2.4471322 0.0075125 0.9519862 0.0800069 0.0000000 0.9347820 </span></span>
+<span><span class="co">## 2.4471342 0.0075124 0.9519866 0.0800071 0.0000000 0.9347816 </span></span>
<span><span class="co">## </span></span>
<span><span class="co">## $distimes</span></span>
<span><span class="co">## DT50 DT90 DT50back DT50_Z0_b1 DT50_Z0_b2 DT50_Z3_b1 DT50_Z3_b2</span></span>
-<span><span class="co">## Z0 0.3043 1.1848 0.35666 0.28325 92.266 NA NA</span></span>
+<span><span class="co">## Z0 0.3043 1.1848 0.35666 0.28325 92.267 NA NA</span></span>
<span><span class="co">## Z1 1.5148 5.0320 NA NA NA NA NA</span></span>
<span><span class="co">## Z2 1.6414 5.4526 NA NA NA NA NA</span></span>
<span><span class="co">## Z3 NA NA NA NA NA 8.6636 Inf</span></span></code></pre>
diff --git a/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_10-1.png b/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_10-1.png
index 33269a34..c1011a35 100644
--- a/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_10-1.png
+++ b/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_10-1.png
Binary files differ
diff --git a/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11-1.png b/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11-1.png
index 6e1877f4..dfd2dd50 100644
--- a/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11-1.png
+++ b/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11-1.png
Binary files differ
diff --git a/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11a-1.png b/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11a-1.png
index 113c1b0b..74173f36 100644
--- a/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11a-1.png
+++ b/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11a-1.png
Binary files differ
diff --git a/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11b-1.png b/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11b-1.png
index 6b0dbc34..1c5793cc 100644
--- a/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11b-1.png
+++ b/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_11b-1.png
Binary files differ
diff --git a/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_5-1.png b/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_5-1.png
index d080a57a..8c594ec9 100644
--- a/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_5-1.png
+++ b/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_5-1.png
Binary files differ
diff --git a/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_6-1.png b/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_6-1.png
index 3119be2d..84d473d6 100644
--- a/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_6-1.png
+++ b/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_6-1.png
Binary files differ
diff --git a/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_9-1.png b/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_9-1.png
index 1938b499..492cdcc8 100644
--- a/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_9-1.png
+++ b/docs/articles/web_only/FOCUS_Z_files/figure-html/FOCUS_2006_Z_fits_9-1.png
Binary files differ
diff --git a/docs/articles/web_only/NAFTA_examples.html b/docs/articles/web_only/NAFTA_examples.html
index 49d1db33..87cef18a 100644
--- a/docs/articles/web_only/NAFTA_examples.html
+++ b/docs/articles/web_only/NAFTA_examples.html
@@ -33,7 +33,7 @@
</button>
<span class="navbar-brand">
<a class="navbar-link" href="../../index.html">mkin</a>
- <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.3</span>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.4</span>
</span>
</div>
@@ -135,7 +135,7 @@ to the US EPA SOP for the NAFTA guidance</h1>
Ranke</h4>
<h4 data-toc-skip class="date">26 February 2019 (rebuilt
-2023-04-20)</h4>
+2023-05-19)</h4>
<small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/vignettes/web_only/NAFTA_examples.rmd" class="external-link"><code>vignettes/web_only/NAFTA_examples.rmd</code></a></small>
<div class="hidden name"><code>NAFTA_examples.rmd</code></div>
@@ -171,7 +171,7 @@ same.</p>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
<div class="sourceCode" id="cb4"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p5a</span><span class="op">)</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p5a</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p5a-1.png" width="700"></p>
<div class="sourceCode" id="cb5"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p5a</span><span class="op">)</span></span></code></pre></div>
@@ -200,7 +200,7 @@ same.</p>
<span><span class="co">## Estimate Pr(&gt;t) Lower Upper</span></span>
<span><span class="co">## parent_0 9.99e+01 1.41e-26 98.8116 101.0810</span></span>
<span><span class="co">## k1 2.67e-02 5.05e-06 0.0243 0.0295</span></span>
-<span><span class="co">## k2 2.26e-12 5.00e-01 0.0000 Inf</span></span>
+<span><span class="co">## k2 3.41e-12 5.00e-01 0.0000 Inf</span></span>
<span><span class="co">## g 6.47e-01 3.67e-06 0.6248 0.6677</span></span>
<span><span class="co">## sigma 1.27e+00 8.91e-06 0.8395 1.6929</span></span>
<span><span class="co">## </span></span>
@@ -209,7 +209,7 @@ same.</p>
<span><span class="co">## DT50 DT90 DT50_rep</span></span>
<span><span class="co">## SFO 67.7 2.25e+02 6.77e+01</span></span>
<span><span class="co">## IORE 58.2 1.07e+03 3.22e+02</span></span>
-<span><span class="co">## DFOP 55.5 5.59e+11 3.07e+11</span></span>
+<span><span class="co">## DFOP 55.5 3.70e+11 2.03e+11</span></span>
<span><span class="co">## </span></span>
<span><span class="co">## Representative half-life:</span></span>
<span><span class="co">## [1] 321.51</span></span></code></pre>
@@ -222,7 +222,7 @@ same.</p>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
<div class="sourceCode" id="cb10"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p5b</span><span class="op">)</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p5b</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p5b-1.png" width="700"></p>
<div class="sourceCode" id="cb11"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p5b</span><span class="op">)</span></span></code></pre></div>
@@ -251,7 +251,7 @@ same.</p>
<span><span class="co">## Estimate Pr(&gt;t) Lower Upper</span></span>
<span><span class="co">## parent_0 9.84e+01 1.24e-27 97.8078 98.9187</span></span>
<span><span class="co">## k1 1.55e-02 4.10e-04 0.0143 0.0167</span></span>
-<span><span class="co">## k2 8.63e-12 5.00e-01 0.0000 Inf</span></span>
+<span><span class="co">## k2 9.07e-12 5.00e-01 0.0000 Inf</span></span>
<span><span class="co">## g 6.89e-01 2.92e-03 0.6626 0.7142</span></span>
<span><span class="co">## sigma 6.48e-01 2.38e-05 0.4147 0.8813</span></span>
<span><span class="co">## </span></span>
@@ -260,7 +260,7 @@ same.</p>
<span><span class="co">## DT50 DT90 DT50_rep</span></span>
<span><span class="co">## SFO 86.6 2.88e+02 8.66e+01</span></span>
<span><span class="co">## IORE 85.5 7.17e+02 2.16e+02</span></span>
-<span><span class="co">## DFOP 83.6 1.32e+11 8.04e+10</span></span>
+<span><span class="co">## DFOP 83.6 1.25e+11 7.64e+10</span></span>
<span><span class="co">## </span></span>
<span><span class="co">## Representative half-life:</span></span>
<span><span class="co">## [1] 215.87</span></span></code></pre>
@@ -273,7 +273,7 @@ same.</p>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
<div class="sourceCode" id="cb16"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p6</span><span class="op">)</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p6</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p6-1.png" width="700"></p>
<div class="sourceCode" id="cb17"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p6</span><span class="op">)</span></span></code></pre></div>
@@ -302,7 +302,7 @@ same.</p>
<span><span class="co">## Estimate Pr(&gt;t) Lower Upper</span></span>
<span><span class="co">## parent_0 9.66e+01 1.57e-25 95.3476 97.8979</span></span>
<span><span class="co">## k1 2.55e-02 7.33e-06 0.0233 0.0278</span></span>
-<span><span class="co">## k2 3.22e-11 5.00e-01 0.0000 Inf</span></span>
+<span><span class="co">## k2 3.84e-11 5.00e-01 0.0000 Inf</span></span>
<span><span class="co">## g 8.61e-01 7.55e-06 0.8314 0.8867</span></span>
<span><span class="co">## sigma 1.46e+00 6.93e-06 0.9661 1.9483</span></span>
<span><span class="co">## </span></span>
@@ -311,7 +311,7 @@ same.</p>
<span><span class="co">## DT50 DT90 DT50_rep</span></span>
<span><span class="co">## SFO 38.6 1.28e+02 3.86e+01</span></span>
<span><span class="co">## IORE 34.0 1.77e+02 5.32e+01</span></span>
-<span><span class="co">## DFOP 34.1 1.01e+10 2.15e+10</span></span>
+<span><span class="co">## DFOP 34.1 8.50e+09 1.80e+10</span></span>
<span><span class="co">## </span></span>
<span><span class="co">## Representative half-life:</span></span>
<span><span class="co">## [1] 53.17</span></span></code></pre>
@@ -324,7 +324,7 @@ same.</p>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
<div class="sourceCode" id="cb22"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p7</span><span class="op">)</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p7</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p7-1.png" width="700"></p>
<div class="sourceCode" id="cb23"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p7</span><span class="op">)</span></span></code></pre></div>
@@ -353,7 +353,7 @@ same.</p>
<span><span class="co">## Estimate Pr(&gt;t) Lower Upper</span></span>
<span><span class="co">## parent_0 9.89e+01 9.44e-49 95.4640 102.2573</span></span>
<span><span class="co">## k1 1.81e-02 1.75e-01 0.0116 0.0281</span></span>
-<span><span class="co">## k2 3.63e-10 5.00e-01 0.0000 Inf</span></span>
+<span><span class="co">## k2 3.62e-10 5.00e-01 0.0000 Inf</span></span>
<span><span class="co">## g 6.06e-01 2.19e-01 0.4826 0.7178</span></span>
<span><span class="co">## sigma 7.40e+00 2.97e-15 6.0201 8.7754</span></span>
<span><span class="co">## </span></span>
@@ -362,7 +362,7 @@ same.</p>
<span><span class="co">## DT50 DT90 DT50_rep</span></span>
<span><span class="co">## SFO 94.3 3.13e+02 9.43e+01</span></span>
<span><span class="co">## IORE 96.7 1.51e+03 4.55e+02</span></span>
-<span><span class="co">## DFOP 96.4 3.77e+09 1.91e+09</span></span>
+<span><span class="co">## DFOP 96.4 3.79e+09 1.92e+09</span></span>
<span><span class="co">## </span></span>
<span><span class="co">## Representative half-life:</span></span>
<span><span class="co">## [1] 454.55</span></span></code></pre>
@@ -383,7 +383,7 @@ lower value for the rate constant is used here.</p>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
<div class="sourceCode" id="cb28"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p8</span><span class="op">)</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p8</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p8-1.png" width="700"></p>
<div class="sourceCode" id="cb29"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p8</span><span class="op">)</span></span></code></pre></div>
@@ -438,7 +438,7 @@ lower value for the rate constant is used here.</p>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
<div class="sourceCode" id="cb34"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p9a</span><span class="op">)</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p9a</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p9a-1.png" width="700"></p>
<div class="sourceCode" id="cb35"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p9a</span><span class="op">)</span></span></code></pre></div>
@@ -476,7 +476,7 @@ lower value for the rate constant is used here.</p>
<span><span class="co">## DT50 DT90 DT50_rep</span></span>
<span><span class="co">## SFO 16.9 5.63e+01 1.69e+01</span></span>
<span><span class="co">## IORE 11.6 3.37e+02 1.01e+02</span></span>
-<span><span class="co">## DFOP 10.5 1.38e+12 7.69e+11</span></span>
+<span><span class="co">## DFOP 10.5 1.38e+12 7.68e+11</span></span>
<span><span class="co">## </span></span>
<span><span class="co">## Representative half-life:</span></span>
<span><span class="co">## [1] 101.43</span></span></code></pre>
@@ -489,17 +489,12 @@ suggest a simple exponential decline.</p>
</h3>
<div class="sourceCode" id="cb37"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="va">p9b</span> <span class="op">&lt;-</span> <span class="fu"><a href="../../reference/nafta.html">nafta</a></span><span class="op">(</span><span class="va">NAFTA_SOP_Attachment</span><span class="op">[[</span><span class="st">"p9b"</span><span class="op">]</span><span class="op">]</span><span class="op">)</span></span></code></pre></div>
-<pre><code><span><span class="co">## Warning in sqrt(diag(covar)): NaNs produced</span></span></code></pre>
-<pre><code><span><span class="co">## Warning in sqrt(diag(covar_notrans)): NaNs produced</span></span></code></pre>
-<pre><code><span><span class="co">## Warning in sqrt(1/diag(V)): NaNs produced</span></span></code></pre>
-<pre><code><span><span class="co">## Warning in cov2cor(ans$covar): diag(.) had 0 or NA entries; non-finite result</span></span>
-<span><span class="co">## is doubtful</span></span></code></pre>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
-<div class="sourceCode" id="cb44"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p9b</span><span class="op">)</span></span></code></pre></div>
+<div class="sourceCode" id="cb40"><pre class="downlit sourceCode r">
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p9b</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p9b-1.png" width="700"></p>
-<div class="sourceCode" id="cb45"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb41"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p9b</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## Sums of squares:</span></span>
<span><span class="co">## SFO IORE DFOP </span></span>
@@ -526,8 +521,8 @@ suggest a simple exponential decline.</p>
<span><span class="co">## Estimate Pr(&gt;t) Lower Upper</span></span>
<span><span class="co">## parent_0 94.7123 1.61e-16 93.1355 96.2891</span></span>
<span><span class="co">## k1 0.0389 1.08e-04 0.0266 0.0569</span></span>
-<span><span class="co">## k2 0.0389 2.23e-04 0.0255 0.0592</span></span>
-<span><span class="co">## g 0.5256 NaN NA NA</span></span>
+<span><span class="co">## k2 0.0389 2.24e-04 0.0255 0.0592</span></span>
+<span><span class="co">## g 0.5256 5.00e-01 0.0000 1.0000</span></span>
<span><span class="co">## sigma 1.5957 2.50e-04 0.9135 2.2779</span></span>
<span><span class="co">## </span></span>
<span><span class="co">## </span></span>
@@ -549,18 +544,15 @@ in PestDF and g in mkin. In mkin, it is restricted to the interval from
<div class="section level3">
<h3 id="example-on-page-10">Example on page 10<a class="anchor" aria-label="anchor" href="#example-on-page-10"></a>
</h3>
-<div class="sourceCode" id="cb47"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb43"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="va">p10</span> <span class="op">&lt;-</span> <span class="fu"><a href="../../reference/nafta.html">nafta</a></span><span class="op">(</span><span class="va">NAFTA_SOP_Attachment</span><span class="op">[[</span><span class="st">"p10"</span><span class="op">]</span><span class="op">]</span><span class="op">)</span></span></code></pre></div>
-<pre><code><span><span class="co">## Warning in sqrt(diag(covar)): NaNs produced</span></span></code></pre>
-<pre><code><span><span class="co">## Warning in sqrt(1/diag(V)): NaNs produced</span></span></code></pre>
-<pre><code><span><span class="co">## Warning in cov2cor(ans$covar): diag(.) had 0 or NA entries; non-finite result</span></span>
-<span><span class="co">## is doubtful</span></span></code></pre>
+<pre><code><span><span class="co">## Warning in sqrt(diag(covar_notrans)): NaNs produced</span></span></code></pre>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
-<div class="sourceCode" id="cb53"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p10</span><span class="op">)</span></span></code></pre></div>
+<div class="sourceCode" id="cb47"><pre class="downlit sourceCode r">
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p10</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p10-1.png" width="700"></p>
-<div class="sourceCode" id="cb54"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb48"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p10</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## Sums of squares:</span></span>
<span><span class="co">## SFO IORE DFOP </span></span>
@@ -584,12 +576,12 @@ in PestDF and g in mkin. In mkin, it is restricted to the interval from
<span><span class="co">## sigma 4.90 1.77e-04 2.837 6.968</span></span>
<span><span class="co">## </span></span>
<span><span class="co">## $DFOP</span></span>
-<span><span class="co">## Estimate Pr(&gt;t) Lower Upper</span></span>
-<span><span class="co">## parent_0 101.7315 1.41e-09 91.6534 111.8097</span></span>
-<span><span class="co">## k1 0.0495 6.58e-03 0.0303 0.0809</span></span>
-<span><span class="co">## k2 0.0495 2.60e-03 0.0410 0.0598</span></span>
-<span><span class="co">## g 0.4487 5.00e-01 NA NA</span></span>
-<span><span class="co">## sigma 8.0152 2.50e-04 4.5886 11.4418</span></span>
+<span><span class="co">## Estimate Pr(&gt;t) Lower Upper</span></span>
+<span><span class="co">## parent_0 101.7315 1.41e-09 91.6534 111.810</span></span>
+<span><span class="co">## k1 0.0495 3.04e-03 0.0188 0.131</span></span>
+<span><span class="co">## k2 0.0495 4.92e-04 0.0197 0.124</span></span>
+<span><span class="co">## g 0.4487 NaN 0.0000 1.000</span></span>
+<span><span class="co">## sigma 8.0152 2.50e-04 4.5886 11.442</span></span>
<span><span class="co">## </span></span>
<span><span class="co">## </span></span>
<span><span class="co">## DTx values:</span></span>
@@ -613,14 +605,14 @@ difference in IORE model parameters between PestDF and mkin.</p>
<div class="section level3">
<h3 id="example-on-page-11">Example on page 11<a class="anchor" aria-label="anchor" href="#example-on-page-11"></a>
</h3>
-<div class="sourceCode" id="cb56"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb50"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="va">p11</span> <span class="op">&lt;-</span> <span class="fu"><a href="../../reference/nafta.html">nafta</a></span><span class="op">(</span><span class="va">NAFTA_SOP_Attachment</span><span class="op">[[</span><span class="st">"p11"</span><span class="op">]</span><span class="op">]</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
-<div class="sourceCode" id="cb59"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p11</span><span class="op">)</span></span></code></pre></div>
+<div class="sourceCode" id="cb53"><pre class="downlit sourceCode r">
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p11</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p11-1.png" width="700"></p>
-<div class="sourceCode" id="cb60"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb54"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p11</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## Sums of squares:</span></span>
<span><span class="co">## SFO IORE DFOP </span></span>
@@ -659,7 +651,7 @@ difference in IORE model parameters between PestDF and mkin.</p>
<span><span class="co">## DFOP 3.07e+11 1.93e+12 6.98e+11</span></span>
<span><span class="co">## </span></span>
<span><span class="co">## Representative half-life:</span></span>
-<span><span class="co">## [1] 41148170</span></span></code></pre>
+<span><span class="co">## [1] 41148169</span></span></code></pre>
<p>In this case, the DFOP fit reported for PestDF resulted in a negative
value for the slower rate constant, which is not possible in mkin. The
other results are in agreement.</p>
@@ -676,21 +668,17 @@ overparameterisation.</p>
<div class="section level3">
<h3 id="example-on-page-12-upper-panel">Example on page 12, upper panel<a class="anchor" aria-label="anchor" href="#example-on-page-12-upper-panel"></a>
</h3>
-<div class="sourceCode" id="cb62"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb56"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="va">p12a</span> <span class="op">&lt;-</span> <span class="fu"><a href="../../reference/nafta.html">nafta</a></span><span class="op">(</span><span class="va">NAFTA_SOP_Attachment</span><span class="op">[[</span><span class="st">"p12a"</span><span class="op">]</span><span class="op">]</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## Warning in summary.mkinfit(x): Could not calculate correlation; no covariance</span></span>
<span><span class="co">## matrix</span></span></code></pre>
-<pre><code><span><span class="co">## Warning in sqrt(diag(covar)): NaNs produced</span></span></code></pre>
<pre><code><span><span class="co">## Warning in sqrt(diag(covar_notrans)): NaNs produced</span></span></code></pre>
-<pre><code><span><span class="co">## Warning in sqrt(1/diag(V)): NaNs produced</span></span></code></pre>
-<pre><code><span><span class="co">## Warning in cov2cor(ans$covar): diag(.) had 0 or NA entries; non-finite result</span></span>
-<span><span class="co">## is doubtful</span></span></code></pre>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
-<div class="sourceCode" id="cb70"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p12a</span><span class="op">)</span></span></code></pre></div>
+<div class="sourceCode" id="cb61"><pre class="downlit sourceCode r">
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p12a</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p12a-1.png" width="700"></p>
-<div class="sourceCode" id="cb71"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb62"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p12a</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## Sums of squares:</span></span>
<span><span class="co">## SFO IORE DFOP </span></span>
@@ -718,7 +706,7 @@ overparameterisation.</p>
<span><span class="co">## parent_0 100.521 2.74e-10 92.2366 108.805</span></span>
<span><span class="co">## k1 0.124 2.53e-05 0.0908 0.170</span></span>
<span><span class="co">## k2 0.124 2.52e-02 0.0456 0.339</span></span>
-<span><span class="co">## g 0.793 NaN NA NA</span></span>
+<span><span class="co">## g 0.793 NaN 0.0000 1.000</span></span>
<span><span class="co">## sigma 7.048 2.50e-04 4.0349 10.061</span></span>
<span><span class="co">## </span></span>
<span><span class="co">## </span></span>
@@ -734,18 +722,21 @@ overparameterisation.</p>
<div class="section level3">
<h3 id="example-on-page-12-lower-panel">Example on page 12, lower panel<a class="anchor" aria-label="anchor" href="#example-on-page-12-lower-panel"></a>
</h3>
-<div class="sourceCode" id="cb73"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb64"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="va">p12b</span> <span class="op">&lt;-</span> <span class="fu"><a href="../../reference/nafta.html">nafta</a></span><span class="op">(</span><span class="va">NAFTA_SOP_Attachment</span><span class="op">[[</span><span class="st">"p12b"</span><span class="op">]</span><span class="op">]</span><span class="op">)</span></span></code></pre></div>
+<pre><code><span><span class="co">## Warning in sqrt(diag(covar)): NaNs produced</span></span></code></pre>
<pre><code><span><span class="co">## Warning in qt(alpha/2, rdf): NaNs produced</span></span></code></pre>
<pre><code><span><span class="co">## Warning in qt(1 - alpha/2, rdf): NaNs produced</span></span></code></pre>
-<pre><code><span><span class="co">## Warning in sqrt(diag(covar_notrans)): NaNs produced</span></span></code></pre>
<pre><code><span><span class="co">## Warning in pt(abs(tval), rdf, lower.tail = FALSE): NaNs produced</span></span></code></pre>
+<pre><code><span><span class="co">## Warning in sqrt(1/diag(V)): NaNs produced</span></span></code></pre>
+<pre><code><span><span class="co">## Warning in cov2cor(ans$covar): diag(.) had 0 or NA entries; non-finite result</span></span>
+<span><span class="co">## is doubtful</span></span></code></pre>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
-<div class="sourceCode" id="cb80"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p12b</span><span class="op">)</span></span></code></pre></div>
+<div class="sourceCode" id="cb73"><pre class="downlit sourceCode r">
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p12b</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p12b-1.png" width="700"></p>
-<div class="sourceCode" id="cb81"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb74"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p12b</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## Sums of squares:</span></span>
<span><span class="co">## SFO IORE DFOP </span></span>
@@ -789,14 +780,14 @@ overparameterisation.</p>
<div class="section level3">
<h3 id="example-on-page-13">Example on page 13<a class="anchor" aria-label="anchor" href="#example-on-page-13"></a>
</h3>
-<div class="sourceCode" id="cb83"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb76"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="va">p13</span> <span class="op">&lt;-</span> <span class="fu"><a href="../../reference/nafta.html">nafta</a></span><span class="op">(</span><span class="va">NAFTA_SOP_Attachment</span><span class="op">[[</span><span class="st">"p13"</span><span class="op">]</span><span class="op">]</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
-<div class="sourceCode" id="cb86"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p13</span><span class="op">)</span></span></code></pre></div>
+<div class="sourceCode" id="cb79"><pre class="downlit sourceCode r">
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p13</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p13-1.png" width="700"></p>
-<div class="sourceCode" id="cb87"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb80"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p13</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## Sums of squares:</span></span>
<span><span class="co">## SFO IORE DFOP </span></span>
@@ -822,8 +813,8 @@ overparameterisation.</p>
<span><span class="co">## $DFOP</span></span>
<span><span class="co">## Estimate Pr(&gt;t) Lower Upper</span></span>
<span><span class="co">## parent_0 92.73500 NA 8.95e+01 95.92118</span></span>
-<span><span class="co">## k1 0.00258 NA 4.14e-04 0.01611</span></span>
-<span><span class="co">## k2 0.00258 NA 1.74e-03 0.00383</span></span>
+<span><span class="co">## k1 0.00258 NA 4.18e-04 0.01592</span></span>
+<span><span class="co">## k2 0.00258 NA 1.75e-03 0.00381</span></span>
<span><span class="co">## g 0.16452 NA 0.00e+00 1.00000</span></span>
<span><span class="co">## sigma 3.41172 NA 2.02e+00 4.79960</span></span>
<span><span class="co">## </span></span>
@@ -841,7 +832,7 @@ overparameterisation.</p>
<div class="section level2">
<h2 id="dt50-not-observed-in-the-study-and-dfop-problems-in-pestdf">DT50 not observed in the study and DFOP problems in PestDF<a class="anchor" aria-label="anchor" href="#dt50-not-observed-in-the-study-and-dfop-problems-in-pestdf"></a>
</h2>
-<div class="sourceCode" id="cb89"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb82"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="va">p14</span> <span class="op">&lt;-</span> <span class="fu"><a href="../../reference/nafta.html">nafta</a></span><span class="op">(</span><span class="va">NAFTA_SOP_Attachment</span><span class="op">[[</span><span class="st">"p14"</span><span class="op">]</span><span class="op">]</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## Warning in sqrt(diag(covar)): NaNs produced</span></span></code></pre>
<pre><code><span><span class="co">## Warning in sqrt(1/diag(V)): NaNs produced</span></span></code></pre>
@@ -849,10 +840,10 @@ overparameterisation.</p>
<span><span class="co">## is doubtful</span></span></code></pre>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
-<div class="sourceCode" id="cb95"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p14</span><span class="op">)</span></span></code></pre></div>
+<div class="sourceCode" id="cb88"><pre class="downlit sourceCode r">
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p14</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p14-1.png" width="700"></p>
-<div class="sourceCode" id="cb96"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb89"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p14</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## Sums of squares:</span></span>
<span><span class="co">## SFO IORE DFOP </span></span>
@@ -879,7 +870,7 @@ overparameterisation.</p>
<span><span class="co">## Estimate Pr(&gt;t) Lower Upper</span></span>
<span><span class="co">## parent_0 1.00e+02 2.96e-28 99.40280 101.2768</span></span>
<span><span class="co">## k1 9.53e-03 1.20e-01 0.00638 0.0143</span></span>
-<span><span class="co">## k2 6.08e-12 5.00e-01 0.00000 Inf</span></span>
+<span><span class="co">## k2 5.21e-12 5.00e-01 0.00000 Inf</span></span>
<span><span class="co">## g 3.98e-01 2.19e-01 0.30481 0.4998</span></span>
<span><span class="co">## sigma 1.17e+00 7.68e-06 0.77406 1.5610</span></span>
<span><span class="co">## </span></span>
@@ -888,7 +879,7 @@ overparameterisation.</p>
<span><span class="co">## DT50 DT90 DT50_rep</span></span>
<span><span class="co">## SFO 2.48e+02 8.25e+02 2.48e+02</span></span>
<span><span class="co">## IORE 4.34e+02 2.22e+04 6.70e+03</span></span>
-<span><span class="co">## DFOP 3.05e+10 2.95e+11 1.14e+11</span></span>
+<span><span class="co">## DFOP 3.55e+10 3.44e+11 1.33e+11</span></span>
<span><span class="co">## </span></span>
<span><span class="co">## Representative half-life:</span></span>
<span><span class="co">## [1] 6697.44</span></span></code></pre>
@@ -899,14 +890,18 @@ same results in mkin and PestDF.</p>
<div class="section level2">
<h2 id="n-is-less-than-1-and-dfop-fraction-parameter-is-below-zero">N is less than 1 and DFOP fraction parameter is below zero<a class="anchor" aria-label="anchor" href="#n-is-less-than-1-and-dfop-fraction-parameter-is-below-zero"></a>
</h2>
-<div class="sourceCode" id="cb98"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb91"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="va">p15a</span> <span class="op">&lt;-</span> <span class="fu"><a href="../../reference/nafta.html">nafta</a></span><span class="op">(</span><span class="va">NAFTA_SOP_Attachment</span><span class="op">[[</span><span class="st">"p15a"</span><span class="op">]</span><span class="op">]</span><span class="op">)</span></span></code></pre></div>
+<pre><code><span><span class="co">## Warning in sqrt(diag(covar)): NaNs produced</span></span></code></pre>
+<pre><code><span><span class="co">## Warning in sqrt(1/diag(V)): NaNs produced</span></span></code></pre>
+<pre><code><span><span class="co">## Warning in cov2cor(ans$covar): diag(.) had 0 or NA entries; non-finite result</span></span>
+<span><span class="co">## is doubtful</span></span></code></pre>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
-<div class="sourceCode" id="cb101"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p15a</span><span class="op">)</span></span></code></pre></div>
+<div class="sourceCode" id="cb97"><pre class="downlit sourceCode r">
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p15a</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p15a-1.png" width="700"></p>
-<div class="sourceCode" id="cb102"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb98"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p15a</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## Sums of squares:</span></span>
<span><span class="co">## SFO IORE DFOP </span></span>
@@ -932,9 +927,9 @@ same results in mkin and PestDF.</p>
<span><span class="co">## $DFOP</span></span>
<span><span class="co">## Estimate Pr(&gt;t) Lower Upper</span></span>
<span><span class="co">## parent_0 97.96751 2.85e-13 94.21913 101.7159</span></span>
-<span><span class="co">## k1 0.00952 6.28e-02 0.00250 0.0363</span></span>
-<span><span class="co">## k2 0.00952 1.27e-04 0.00646 0.0140</span></span>
-<span><span class="co">## g 0.21241 5.00e-01 0.00000 1.0000</span></span>
+<span><span class="co">## k1 0.00952 6.28e-02 0.00260 0.0349</span></span>
+<span><span class="co">## k2 0.00952 1.27e-04 0.00652 0.0139</span></span>
+<span><span class="co">## g 0.21241 5.00e-01 NA NA</span></span>
<span><span class="co">## sigma 4.18778 2.50e-04 2.39747 5.9781</span></span>
<span><span class="co">## </span></span>
<span><span class="co">## </span></span>
@@ -946,18 +941,16 @@ same results in mkin and PestDF.</p>
<span><span class="co">## </span></span>
<span><span class="co">## Representative half-life:</span></span>
<span><span class="co">## [1] 41.33</span></span></code></pre>
-<div class="sourceCode" id="cb104"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb100"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="va">p15b</span> <span class="op">&lt;-</span> <span class="fu"><a href="../../reference/nafta.html">nafta</a></span><span class="op">(</span><span class="va">NAFTA_SOP_Attachment</span><span class="op">[[</span><span class="st">"p15b"</span><span class="op">]</span><span class="op">]</span><span class="op">)</span></span></code></pre></div>
-<pre><code><span><span class="co">## Warning in sqrt(diag(covar)): NaNs produced</span></span></code></pre>
-<pre><code><span><span class="co">## Warning in sqrt(1/diag(V)): NaNs produced</span></span></code></pre>
-<pre><code><span><span class="co">## Warning in cov2cor(ans$covar): diag(.) had 0 or NA entries; non-finite result</span></span>
-<span><span class="co">## is doubtful</span></span></code></pre>
+<pre><code><span><span class="co">## Warning in summary.mkinfit(x): Could not calculate correlation; no covariance</span></span>
+<span><span class="co">## matrix</span></span></code></pre>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The half-life obtained from the IORE model may be used</span></span></code></pre>
-<div class="sourceCode" id="cb110"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p15b</span><span class="op">)</span></span></code></pre></div>
+<div class="sourceCode" id="cb104"><pre class="downlit sourceCode r">
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p15b</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p15b-1.png" width="700"></p>
-<div class="sourceCode" id="cb111"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb105"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p15b</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## Sums of squares:</span></span>
<span><span class="co">## SFO IORE DFOP </span></span>
@@ -975,18 +968,18 @@ same results in mkin and PestDF.</p>
<span><span class="co">## </span></span>
<span><span class="co">## $IORE</span></span>
<span><span class="co">## Estimate Pr(&gt;t) Lower Upper</span></span>
-<span><span class="co">## parent_0 99.83 1.81e-16 97.51349 102.14</span></span>
+<span><span class="co">## parent_0 99.83 1.81e-16 97.51348 102.14</span></span>
<span><span class="co">## k__iore_parent 0.38 3.22e-01 0.00352 41.05</span></span>
<span><span class="co">## N_parent 0.00 5.00e-01 -1.07696 1.08</span></span>
<span><span class="co">## sigma 2.21 2.57e-04 1.23245 3.19</span></span>
<span><span class="co">## </span></span>
<span><span class="co">## $DFOP</span></span>
-<span><span class="co">## Estimate Pr(&gt;t) Lower Upper</span></span>
-<span><span class="co">## parent_0 1.01e+02 NA 9.82e+01 1.04e+02</span></span>
-<span><span class="co">## k1 4.86e-03 NA 8.63e-04 2.73e-02</span></span>
-<span><span class="co">## k2 4.86e-03 NA 3.21e-03 7.35e-03</span></span>
-<span><span class="co">## g 1.88e-01 NA NA NA</span></span>
-<span><span class="co">## sigma 2.76e+00 NA 1.58e+00 3.94e+00</span></span>
+<span><span class="co">## Estimate Pr(&gt;t) Lower Upper</span></span>
+<span><span class="co">## parent_0 1.01e+02 NA NA NA</span></span>
+<span><span class="co">## k1 4.86e-03 NA NA NA</span></span>
+<span><span class="co">## k2 4.86e-03 NA NA NA</span></span>
+<span><span class="co">## g 1.88e-01 NA NA NA</span></span>
+<span><span class="co">## sigma 2.76e+00 NA NA NA</span></span>
<span><span class="co">## </span></span>
<span><span class="co">## </span></span>
<span><span class="co">## DTx values:</span></span>
@@ -1005,16 +998,16 @@ mkin and PestDF.</p>
<div class="section level2">
<h2 id="the-dfop-fraction-parameter-is-greater-than-1">The DFOP fraction parameter is greater than 1<a class="anchor" aria-label="anchor" href="#the-dfop-fraction-parameter-is-greater-than-1"></a>
</h2>
-<div class="sourceCode" id="cb113"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb107"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="va">p16</span> <span class="op">&lt;-</span> <span class="fu"><a href="../../reference/nafta.html">nafta</a></span><span class="op">(</span><span class="va">NAFTA_SOP_Attachment</span><span class="op">[[</span><span class="st">"p16"</span><span class="op">]</span><span class="op">]</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></span></code></pre>
<pre><code><span><span class="co">## The representative half-life of the IORE model is longer than the one corresponding</span></span></code></pre>
<pre><code><span><span class="co">## to the terminal degradation rate found with the DFOP model.</span></span></code></pre>
<pre><code><span><span class="co">## The representative half-life obtained from the DFOP model may be used</span></span></code></pre>
-<div class="sourceCode" id="cb118"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p16</span><span class="op">)</span></span></code></pre></div>
+<div class="sourceCode" id="cb112"><pre class="downlit sourceCode r">
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">p16</span><span class="op">)</span></span></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p16-1.png" width="700"></p>
-<div class="sourceCode" id="cb119"><pre class="downlit sourceCode r">
+<div class="sourceCode" id="cb113"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">p16</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## Sums of squares:</span></span>
<span><span class="co">## SFO IORE DFOP </span></span>
diff --git a/docs/articles/web_only/NAFTA_examples_files/figure-html/p10-1.png b/docs/articles/web_only/NAFTA_examples_files/figure-html/p10-1.png
index 566625ea..1d4a25e0 100644
--- a/docs/articles/web_only/NAFTA_examples_files/figure-html/p10-1.png
+++ b/docs/articles/web_only/NAFTA_examples_files/figure-html/p10-1.png
Binary files differ
diff --git a/docs/articles/web_only/NAFTA_examples_files/figure-html/p15a-1.png b/docs/articles/web_only/NAFTA_examples_files/figure-html/p15a-1.png
index b5fd7d91..aa55169e 100644
--- a/docs/articles/web_only/NAFTA_examples_files/figure-html/p15a-1.png
+++ b/docs/articles/web_only/NAFTA_examples_files/figure-html/p15a-1.png
Binary files differ
diff --git a/docs/articles/web_only/NAFTA_examples_files/figure-html/p15b-1.png b/docs/articles/web_only/NAFTA_examples_files/figure-html/p15b-1.png
index dfbc996f..d17c7aae 100644
--- a/docs/articles/web_only/NAFTA_examples_files/figure-html/p15b-1.png
+++ b/docs/articles/web_only/NAFTA_examples_files/figure-html/p15b-1.png
Binary files differ
diff --git a/docs/articles/web_only/NAFTA_examples_files/figure-html/p5b-1.png b/docs/articles/web_only/NAFTA_examples_files/figure-html/p5b-1.png
index 6fd175cb..9e38e696 100644
--- a/docs/articles/web_only/NAFTA_examples_files/figure-html/p5b-1.png
+++ b/docs/articles/web_only/NAFTA_examples_files/figure-html/p5b-1.png
Binary files differ
diff --git a/docs/articles/web_only/NAFTA_examples_files/figure-html/p6-1.png b/docs/articles/web_only/NAFTA_examples_files/figure-html/p6-1.png
index 856c6778..e6e3abbe 100644
--- a/docs/articles/web_only/NAFTA_examples_files/figure-html/p6-1.png
+++ b/docs/articles/web_only/NAFTA_examples_files/figure-html/p6-1.png
Binary files differ
diff --git a/docs/articles/web_only/NAFTA_examples_files/figure-html/p7-1.png b/docs/articles/web_only/NAFTA_examples_files/figure-html/p7-1.png
index b078fb88..7c5d4bab 100644
--- a/docs/articles/web_only/NAFTA_examples_files/figure-html/p7-1.png
+++ b/docs/articles/web_only/NAFTA_examples_files/figure-html/p7-1.png
Binary files differ
diff --git a/docs/articles/web_only/benchmarks.html b/docs/articles/web_only/benchmarks.html
index 3e73bd12..315ad54e 100644
--- a/docs/articles/web_only/benchmarks.html
+++ b/docs/articles/web_only/benchmarks.html
@@ -33,7 +33,7 @@
</button>
<span class="navbar-brand">
<a class="navbar-link" href="../../index.html">mkin</a>
- <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.3</span>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.4</span>
</span>
</div>
@@ -134,7 +134,7 @@
Ranke</h4>
<h4 data-toc-skip class="date">Last change 17 February 2023
-(rebuilt 2023-04-20)</h4>
+(rebuilt 2023-05-19)</h4>
<small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/vignettes/web_only/benchmarks.rmd" class="external-link"><code>vignettes/web_only/benchmarks.rmd</code></a></small>
<div class="hidden name"><code>benchmarks.rmd</code></div>
@@ -425,6 +425,14 @@ models fitted to two datasets, i.e. eight fits for each test.</p>
<td align="right">1.406</td>
<td align="right">1.948</td>
</tr>
+<tr class="even">
+<td align="left">Linux</td>
+<td align="left">Ryzen 9 7950X</td>
+<td align="left">4.3.0</td>
+<td align="left">1.2.4</td>
+<td align="right">1.386</td>
+<td align="right">1.960</td>
+</tr>
</tbody>
</table>
</div>
@@ -652,6 +660,15 @@ for each test.</p>
<td align="right">2.109</td>
<td align="right">1.178</td>
</tr>
+<tr class="even">
+<td align="left">Linux</td>
+<td align="left">Ryzen 9 7950X</td>
+<td align="left">4.3.0</td>
+<td align="left">1.2.4</td>
+<td align="right">0.779</td>
+<td align="right">2.080</td>
+<td align="right">1.106</td>
+</tr>
</tbody>
</table>
</div>
@@ -963,6 +980,18 @@ dataset, i.e. one fit for each test.</p>
<td align="right">0.743</td>
<td align="right">0.989</td>
</tr>
+<tr class="even">
+<td align="left">Linux</td>
+<td align="left">Ryzen 9 7950X</td>
+<td align="left">4.3.0</td>
+<td align="left">1.2.4</td>
+<td align="right">0.410</td>
+<td align="right">0.526</td>
+<td align="right">0.553</td>
+<td align="right">1.249</td>
+<td align="right">0.712</td>
+<td align="right">0.948</td>
+</tr>
</tbody>
</table>
</div>
diff --git a/docs/articles/web_only/compiled_models.html b/docs/articles/web_only/compiled_models.html
index a411dad1..3c53b40a 100644
--- a/docs/articles/web_only/compiled_models.html
+++ b/docs/articles/web_only/compiled_models.html
@@ -33,7 +33,7 @@
</button>
<span class="navbar-brand">
<a class="navbar-link" href="../../index.html">mkin</a>
- <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.3</span>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.4</span>
</span>
</div>
@@ -134,7 +134,7 @@ definitions in mkin</h1>
<h4 data-toc-skip class="author">Johannes
Ranke</h4>
- <h4 data-toc-skip class="date">2023-04-20</h4>
+ <h4 data-toc-skip class="date">2023-05-19</h4>
<small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/vignettes/web_only/compiled_models.rmd" class="external-link"><code>vignettes/web_only/compiled_models.rmd</code></a></small>
<div class="hidden name"><code>compiled_models.rmd</code></div>
@@ -213,10 +213,10 @@ solution is also implemented, which is included in the tests below.</p>
<span> <span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="st">"R package rbenchmark is not available"</span><span class="op">)</span></span>
<span><span class="op">}</span></span></code></pre></div>
<pre><code><span><span class="co">## test replications relative elapsed</span></span>
-<span><span class="co">## 4 analytical 1 1.000 0.103</span></span>
-<span><span class="co">## 3 deSolve, compiled 1 1.291 0.133</span></span>
-<span><span class="co">## 2 Eigenvalue based 1 1.718 0.177</span></span>
-<span><span class="co">## 1 deSolve, not compiled 1 22.136 2.280</span></span></code></pre>
+<span><span class="co">## 4 analytical 1 1.000 0.099</span></span>
+<span><span class="co">## 3 deSolve, compiled 1 1.303 0.129</span></span>
+<span><span class="co">## 2 Eigenvalue based 1 1.697 0.168</span></span>
+<span><span class="co">## 1 deSolve, not compiled 1 21.475 2.126</span></span></code></pre>
<p>We see that using the compiled model is by more than a factor of 10
faster than using deSolve without compiled code.</p>
</div>
@@ -247,12 +247,12 @@ compiled code is available.</p>
<span><span class="op">}</span></span></code></pre></div>
<pre><code><span><span class="co">## Temporary DLL for differentials generated and loaded</span></span></code></pre>
<pre><code><span><span class="co">## test replications relative elapsed</span></span>
-<span><span class="co">## 2 deSolve, compiled 1 1.000 0.171</span></span>
-<span><span class="co">## 1 deSolve, not compiled 1 24.199 4.138</span></span></code></pre>
-<p>Here we get a performance benefit of a factor of 24 using the version
+<span><span class="co">## 2 deSolve, compiled 1 1.000 0.165</span></span>
+<span><span class="co">## 1 deSolve, not compiled 1 22.673 3.741</span></span></code></pre>
+<p>Here we get a performance benefit of a factor of 23 using the version
of the differential equation model compiled from C code!</p>
-<p>This vignette was built with mkin 1.2.3 on</p>
-<pre><code><span><span class="co">## R version 4.2.3 (2023-03-15)</span></span>
+<p>This vignette was built with mkin 1.2.4 on</p>
+<pre><code><span><span class="co">## R version 4.3.0 Patched (2023-05-18 r84448)</span></span>
<span><span class="co">## Platform: x86_64-pc-linux-gnu (64-bit)</span></span>
<span><span class="co">## Running under: Debian GNU/Linux 12 (bookworm)</span></span></code></pre>
<pre><code><span><span class="co">## CPU model: AMD Ryzen 9 7950X 16-Core Processor</span></span></code></pre>
diff --git a/docs/articles/web_only/dimethenamid_2018.html b/docs/articles/web_only/dimethenamid_2018.html
index 4575067b..a89631a2 100644
--- a/docs/articles/web_only/dimethenamid_2018.html
+++ b/docs/articles/web_only/dimethenamid_2018.html
@@ -33,7 +33,7 @@
</button>
<span class="navbar-brand">
<a class="navbar-link" href="../../index.html">mkin</a>
- <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.3</span>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.4</span>
</span>
</div>
@@ -135,7 +135,7 @@ from 2018</h1>
Ranke</h4>
<h4 data-toc-skip class="date">Last change 1 July 2022,
-built on 20 Apr 2023</h4>
+built on 19 May 2023</h4>
<small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/vignettes/web_only/dimethenamid_2018.rmd" class="external-link"><code>vignettes/web_only/dimethenamid_2018.rmd</code></a></small>
<div class="hidden name"><code>dimethenamid_2018.rmd</code></div>
@@ -222,12 +222,12 @@ least in some datasets the degradation slows down towards later time
points, and that the scatter of the residuals error is smaller for
smaller values (panel to the right):</p>
<div class="sourceCode" id="cb3"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="fu"><a href="../../reference/mixed.html">mixed</a></span><span class="op">(</span><span class="va">f_parent_mkin_const</span><span class="op">[</span><span class="st">"SFO"</span>, <span class="op">]</span><span class="op">)</span><span class="op">)</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="fu"><a href="../../reference/mixed.html">mixed</a></span><span class="op">(</span><span class="va">f_parent_mkin_const</span><span class="op">[</span><span class="st">"SFO"</span>, <span class="op">]</span><span class="op">)</span><span class="op">)</span></span></code></pre></div>
<p><img src="dimethenamid_2018_files/figure-html/f_parent_mkin_sfo_const-1.png" width="700"></p>
<p>Using biexponential decline (DFOP) results in a slightly more random
scatter of the residuals:</p>
<div class="sourceCode" id="cb4"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="fu"><a href="../../reference/mixed.html">mixed</a></span><span class="op">(</span><span class="va">f_parent_mkin_const</span><span class="op">[</span><span class="st">"DFOP"</span>, <span class="op">]</span><span class="op">)</span><span class="op">)</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="fu"><a href="../../reference/mixed.html">mixed</a></span><span class="op">(</span><span class="va">f_parent_mkin_const</span><span class="op">[</span><span class="st">"DFOP"</span>, <span class="op">]</span><span class="op">)</span><span class="op">)</span></span></code></pre></div>
<p><img src="dimethenamid_2018_files/figure-html/f_parent_mkin_dfop_const-1.png" width="700"></p>
<p>The population curve (bold line) in the above plot results from
taking the mean of the individual transformed parameters, i.e. of log k1
@@ -239,7 +239,7 @@ dominates the average. This is alleviated if only rate constants that
pass the t-test for significant difference from zero (on the
untransformed scale) are considered in the averaging:</p>
<div class="sourceCode" id="cb5"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="fu"><a href="../../reference/mixed.html">mixed</a></span><span class="op">(</span><span class="va">f_parent_mkin_const</span><span class="op">[</span><span class="st">"DFOP"</span>, <span class="op">]</span><span class="op">)</span>, test_log_parms <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="fu"><a href="../../reference/mixed.html">mixed</a></span><span class="op">(</span><span class="va">f_parent_mkin_const</span><span class="op">[</span><span class="st">"DFOP"</span>, <span class="op">]</span><span class="op">)</span>, test_log_parms <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></code></pre></div>
<p><img src="dimethenamid_2018_files/figure-html/f_parent_mkin_dfop_const_test-1.png" width="700"></p>
<p>While this is visually much more satisfactory, such an average
procedure could introduce a bias, as not all results from the individual
@@ -251,7 +251,7 @@ degradation model and the error model (see below).</p>
predicted residues is reduced by using the two-component error
model:</p>
<div class="sourceCode" id="cb6"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="fu"><a href="../../reference/mixed.html">mixed</a></span><span class="op">(</span><span class="va">f_parent_mkin_tc</span><span class="op">[</span><span class="st">"DFOP"</span>, <span class="op">]</span><span class="op">)</span>, test_log_parms <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="fu"><a href="../../reference/mixed.html">mixed</a></span><span class="op">(</span><span class="va">f_parent_mkin_tc</span><span class="op">[</span><span class="st">"DFOP"</span>, <span class="op">]</span><span class="op">)</span>, test_log_parms <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></code></pre></div>
<p><img src="dimethenamid_2018_files/figure-html/f_parent_mkin_dfop_tc_test-1.png" width="700"></p>
<p>However, note that in the case of using this error model, the fits to
the Flaach and BBA 2.3 datasets appear to be ill-defined, indicated by
@@ -341,7 +341,7 @@ effects does not improve the fits.</p>
<p>The selected model (DFOP with two-component error) fitted to the data
assuming no correlations between random effects is shown below.</p>
<div class="sourceCode" id="cb13"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">f_parent_nlme_dfop_tc</span><span class="op">)</span></span></code></pre></div>
+<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">f_parent_nlme_dfop_tc</span><span class="op">)</span></span></code></pre></div>
<p><img src="dimethenamid_2018_files/figure-html/plot_parent_nlme-1.png" width="700"></p>
</div>
<div class="section level4">
@@ -549,7 +549,7 @@ iterations second phase, 15 chains).</p>
<span> saemix_is <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/lapply.html" class="external-link">sapply</a></span><span class="op">(</span><span class="fu"><a href="https://rdrr.io/r/base/list.html" class="external-link">list</a></span><span class="op">(</span><span class="va">f_parent_saemix_sfo_const</span><span class="op">$</span><span class="va">so</span>, <span class="va">f_parent_saemix_sfo_tc</span><span class="op">$</span><span class="va">so</span>,</span>
<span> <span class="va">f_parent_saemix_dfop_const</span><span class="op">$</span><span class="va">so</span>, <span class="va">f_parent_saemix_dfop_tc</span><span class="op">$</span><span class="va">so</span><span class="op">)</span>, <span class="va">AIC</span>, method <span class="op">=</span> <span class="st">"is"</span><span class="op">)</span></span>
<span><span class="op">)</span></span>
-<span><span class="fu">kable</span><span class="op">(</span><span class="va">AIC_all</span><span class="op">)</span></span></code></pre></div>
+<span><span class="fu"><a href="https://rdrr.io/pkg/knitr/man/kable.html" class="external-link">kable</a></span><span class="op">(</span><span class="va">AIC_all</span><span class="op">)</span></span></code></pre></div>
<table class="table">
<thead><tr class="header">
<th align="left">Degradation model</th>
@@ -614,13 +614,13 @@ satisfactory precision.</p>
</h2>
<div class="sourceCode" id="cb32"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/utils/sessionInfo.html" class="external-link">sessionInfo</a></span><span class="op">(</span><span class="op">)</span></span></code></pre></div>
-<pre><code>R version 4.2.3 (2023-03-15)
+<pre><code>R version 4.3.0 Patched (2023-05-18 r84448)
Platform: x86_64-pc-linux-gnu (64-bit)
Running under: Debian GNU/Linux 12 (bookworm)
Matrix products: default
-BLAS: /usr/lib/x86_64-linux-gnu/openblas-serial/libblas.so.3
-LAPACK: /usr/lib/x86_64-linux-gnu/openblas-serial/libopenblas-r0.3.21.so
+BLAS: /home/jranke/svn/R/r-patched/build/lib/libRblas.so
+LAPACK: /usr/lib/x86_64-linux-gnu/openblas-serial/liblapack.so.3; LAPACK version 3.11.0
locale:
[1] LC_CTYPE=de_DE.UTF-8 LC_NUMERIC=C
@@ -630,27 +630,30 @@ locale:
[9] LC_ADDRESS=C LC_TELEPHONE=C
[11] LC_MEASUREMENT=de_DE.UTF-8 LC_IDENTIFICATION=C
+time zone: Europe/Berlin
+tzcode source: system (glibc)
+
attached base packages:
[1] stats graphics grDevices utils datasets methods base
other attached packages:
-[1] saemix_3.2 npde_3.3 nlme_3.1-162 mkin_1.2.3 knitr_1.42
+[1] nlme_3.1-162 mkin_1.2.4 knitr_1.42
loaded via a namespace (and not attached):
- [1] highr_0.10 pillar_1.9.0 bslib_0.4.2 compiler_4.2.3
- [5] jquerylib_0.1.4 tools_4.2.3 mclust_6.0.0 digest_0.6.31
- [9] tibble_3.2.1 jsonlite_1.8.4 evaluate_0.20 memoise_2.0.1
-[13] lifecycle_1.0.3 gtable_0.3.3 lattice_0.21-8 pkgconfig_2.0.3
-[17] rlang_1.1.0 DBI_1.1.3 cli_3.6.1 yaml_2.3.7
-[21] parallel_4.2.3 pkgdown_2.0.7 xfun_0.38 fastmap_1.1.1
-[25] gridExtra_2.3 dplyr_1.1.1 stringr_1.5.0 generics_0.1.3
-[29] desc_1.4.2 fs_1.6.1 vctrs_0.6.1 sass_0.4.5
-[33] systemfonts_1.0.4 tidyselect_1.2.0 rprojroot_2.0.3 lmtest_0.9-40
-[37] grid_4.2.3 glue_1.6.2 R6_2.5.1 textshaping_0.3.6
-[41] fansi_1.0.4 rmarkdown_2.21 purrr_1.0.1 ggplot2_3.4.2
-[45] magrittr_2.0.3 codetools_0.2-19 scales_1.2.1 htmltools_0.5.5
-[49] colorspace_2.1-0 ragg_1.2.5 utf8_1.2.3 stringi_1.7.12
-[53] munsell_0.5.0 cachem_1.0.7 zoo_1.8-12 </code></pre>
+ [1] sass_0.4.6 utf8_1.2.3 generics_0.1.3 saemix_3.2
+ [5] stringi_1.7.12 lattice_0.21-8 digest_0.6.31 magrittr_2.0.3
+ [9] evaluate_0.21 grid_4.3.0 fastmap_1.1.1 rprojroot_2.0.3
+[13] jsonlite_1.8.4 DBI_1.1.3 mclust_6.0.0 gridExtra_2.3
+[17] purrr_1.0.1 fansi_1.0.4 scales_1.2.1 textshaping_0.3.6
+[21] jquerylib_0.1.4 cli_3.6.1 rlang_1.1.1 munsell_0.5.0
+[25] cachem_1.0.8 yaml_2.3.7 tools_4.3.0 parallel_4.3.0
+[29] memoise_2.0.1 dplyr_1.1.2 colorspace_2.1-0 ggplot2_3.4.2
+[33] vctrs_0.6.2 R6_2.5.1 zoo_1.8-12 lifecycle_1.0.3
+[37] stringr_1.5.0 fs_1.6.2 ragg_1.2.5 pkgconfig_2.0.3
+[41] desc_1.4.2 pkgdown_2.0.7 bslib_0.4.2 pillar_1.9.0
+[45] gtable_0.3.3 glue_1.6.2 systemfonts_1.0.4 xfun_0.39
+[49] tibble_3.2.1 lmtest_0.9-40 tidyselect_1.2.0 npde_3.3
+[53] htmltools_0.5.5 rmarkdown_2.21 compiler_4.3.0 </code></pre>
</div>
<div class="section level2">
<h2 id="references">References<a class="anchor" aria-label="anchor" href="#references"></a>
diff --git a/docs/articles/web_only/multistart.html b/docs/articles/web_only/multistart.html
index 04093e82..b9224bb0 100644
--- a/docs/articles/web_only/multistart.html
+++ b/docs/articles/web_only/multistart.html
@@ -33,7 +33,7 @@
</button>
<span class="navbar-brand">
<a class="navbar-link" href="../../index.html">mkin</a>
- <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.3</span>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.4</span>
</span>
</div>
@@ -134,7 +134,7 @@
Ranke</h4>
<h4 data-toc-skip class="date">Last change 20 April 2023
-(rebuilt 2023-04-20)</h4>
+(rebuilt 2023-05-19)</h4>
<small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/vignettes/web_only/multistart.rmd" class="external-link"><code>vignettes/web_only/multistart.rmd</code></a></small>
<div class="hidden name"><code>multistart.rmd</code></div>
@@ -175,7 +175,7 @@ assessment using multiple runs with different starting values.</p>
parameter, so we reduce the parameter distribution model by removing the
intersoil variability for k2.</p>
<div class="sourceCode" id="cb5"><pre class="downlit sourceCode r">
-<code class="sourceCode R"><span><span class="va">f_saem_reduced</span> <span class="op">&lt;-</span> <span class="fu"><a href="https://rdrr.io/r/stats/update.html" class="external-link">update</a></span><span class="op">(</span><span class="va">f_saem_full</span>, no_random_effect <span class="op">=</span> <span class="st">"log_k2"</span><span class="op">)</span></span>
+<code class="sourceCode R"><span><span class="va">f_saem_reduced</span> <span class="op">&lt;-</span> <span class="fu">stats</span><span class="fu">::</span><span class="fu"><a href="https://rdrr.io/r/stats/update.html" class="external-link">update</a></span><span class="op">(</span><span class="va">f_saem_full</span>, no_random_effect <span class="op">=</span> <span class="st">"log_k2"</span><span class="op">)</span></span>
<span><span class="fu"><a href="../../reference/illparms.html">illparms</a></span><span class="op">(</span><span class="va">f_saem_reduced</span><span class="op">)</span></span>
<span><span class="va">f_saem_reduced_multi</span> <span class="op">&lt;-</span> <span class="fu"><a href="../../reference/multistart.html">multistart</a></span><span class="op">(</span><span class="va">f_saem_reduced</span>, n <span class="op">=</span> <span class="fl">16</span>, cores <span class="op">=</span> <span class="fl">16</span><span class="op">)</span></span>
<span><span class="fu"><a href="../../reference/parplot.html">parplot</a></span><span class="op">(</span><span class="va">f_saem_reduced_multi</span>, lpos <span class="op">=</span> <span class="st">"topright"</span>, ylim <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span><span class="fl">0.5</span>, <span class="fl">2</span><span class="op">)</span><span class="op">)</span></span></code></pre></div>
@@ -190,18 +190,20 @@ runs:</p>
<p>We can use the <code>anova</code> method to compare the models.</p>
<div class="sourceCode" id="cb7"><pre class="downlit sourceCode r">
<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/stats/anova.html" class="external-link">anova</a></span><span class="op">(</span><span class="va">f_saem_full</span>, <span class="fu"><a href="../../reference/multistart.html">best</a></span><span class="op">(</span><span class="va">f_saem_full_multi</span><span class="op">)</span>,</span>
-<span> <span class="va">f_saem_reduced</span>, <span class="fu"><a href="../../reference/multistart.html">best</a></span><span class="op">(</span><span class="va">f_saem_reduced_multi</span><span class="op">)</span><span class="op">)</span></span></code></pre></div>
+<span> <span class="va">f_saem_reduced</span>, <span class="fu"><a href="../../reference/multistart.html">best</a></span><span class="op">(</span><span class="va">f_saem_reduced_multi</span><span class="op">)</span>, test <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></code></pre></div>
<pre><code><span><span class="co">## Data: 155 observations of 1 variable(s) grouped in 6 datasets</span></span>
<span><span class="co">## </span></span>
-<span><span class="co">## npar AIC BIC Lik</span></span>
-<span><span class="co">## f_saem_reduced 9 663.73 661.86 -322.86</span></span>
-<span><span class="co">## best(f_saem_reduced_multi) 9 663.69 661.82 -322.85</span></span>
-<span><span class="co">## f_saem_full 10 669.77 667.69 -324.89</span></span>
-<span><span class="co">## best(f_saem_full_multi) 10 665.56 663.48 -322.78</span></span></code></pre>
-<p>The reduced model gives the lowest information criteria and similar
-likelihoods as the best variant of the full model. The multistart method
-leads to a much lower improvement of the likelihood for the reduced
-model, indicating that it converges faster.</p>
+<span><span class="co">## npar AIC BIC Lik Chisq Df Pr(&gt;Chisq)</span></span>
+<span><span class="co">## f_saem_reduced 9 663.67 661.80 -322.84 </span></span>
+<span><span class="co">## best(f_saem_reduced_multi) 9 663.65 661.78 -322.82 0.0219 0 </span></span>
+<span><span class="co">## f_saem_full 10 670.09 668.01 -325.05 0.0000 1 1</span></span>
+<span><span class="co">## best(f_saem_full_multi) 10 665.61 663.52 -322.80 4.4870 0</span></span></code></pre>
+<p>The reduced model results in lower AIC and BIC values, so it is
+clearly preferable. Using multiple starting values gives a large
+improvement in case of the full model, because it is less well-defined,
+which impedes convergence. For the reduced model, using multiple
+starting values only results in a small improvement of the model
+fit.</p>
</div>
<div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar">
diff --git a/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-3-1.png b/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-3-1.png
index 1ef2ba24..f41dc889 100644
--- a/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-3-1.png
+++ b/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-3-1.png
Binary files differ
diff --git a/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-4-1.png b/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-4-1.png
index b1582557..9e206791 100644
--- a/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-4-1.png
+++ b/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-4-1.png
Binary files differ
diff --git a/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-5-1.png b/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-5-1.png
index f0270537..c8e918cd 100644
--- a/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-5-1.png
+++ b/docs/articles/web_only/multistart_files/figure-html/unnamed-chunk-5-1.png
Binary files differ
diff --git a/docs/articles/web_only/saem_benchmarks.html b/docs/articles/web_only/saem_benchmarks.html
index 587ee4a2..a9637876 100644
--- a/docs/articles/web_only/saem_benchmarks.html
+++ b/docs/articles/web_only/saem_benchmarks.html
@@ -33,7 +33,7 @@
</button>
<span class="navbar-brand">
<a class="navbar-link" href="../../index.html">mkin</a>
- <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.3</span>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.4</span>
</span>
</div>
@@ -134,7 +134,7 @@
Ranke</h4>
<h4 data-toc-skip class="date">Last change 17 February 2023
-(rebuilt 2023-04-20)</h4>
+(rebuilt 2023-05-19)</h4>
<small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/vignettes/web_only/saem_benchmarks.rmd" class="external-link"><code>vignettes/web_only/saem_benchmarks.rmd</code></a></small>
<div class="hidden name"><code>saem_benchmarks.rmd</code></div>
@@ -238,22 +238,22 @@ explanation of the following preprocessing.</p>
<tr class="even">
<td align="left">dfop_tc</td>
<td align="right">10</td>
-<td align="right">669.8</td>
-<td align="right">667.7</td>
-<td align="right">-324.9</td>
+<td align="right">670.1</td>
+<td align="right">668.0</td>
+<td align="right">-325.0</td>
</tr>
<tr class="odd">
<td align="left">sforb_tc</td>
<td align="right">10</td>
-<td align="right">662.8</td>
-<td align="right">660.7</td>
+<td align="right">662.9</td>
+<td align="right">660.8</td>
<td align="right">-321.4</td>
</tr>
<tr class="even">
<td align="left">hs_tc</td>
<td align="right">10</td>
-<td align="right">667.3</td>
-<td align="right">665.2</td>
+<td align="right">667.2</td>
+<td align="right">665.1</td>
<td align="right">-323.6</td>
</tr>
</tbody>
@@ -402,6 +402,16 @@ systems. All trademarks belong to their respective owners.</p>
<td align="right">1.926</td>
<td align="right">2.398</td>
</tr>
+<tr class="odd">
+<td align="left">Ryzen 9 7950X</td>
+<td align="left">Linux</td>
+<td align="left">1.2.4</td>
+<td align="left">3.2</td>
+<td align="right">0.972</td>
+<td align="right">2.550</td>
+<td align="right">1.987</td>
+<td align="right">2.055</td>
+</tr>
</tbody>
</table>
<p>Two-component error fits for SFO, DFOP, SFORB and HS.</p>
@@ -477,6 +487,16 @@ systems. All trademarks belong to their respective owners.</p>
<td align="right">3.253</td>
<td align="right">3.530</td>
</tr>
+<tr class="odd">
+<td align="left">Ryzen 9 7950X</td>
+<td align="left">Linux</td>
+<td align="left">1.2.4</td>
+<td align="left">3.2</td>
+<td align="right">2.127</td>
+<td align="right">3.587</td>
+<td align="right">3.433</td>
+<td align="right">3.595</td>
+</tr>
</tbody>
</table>
</div>
@@ -542,6 +562,14 @@ systems. All trademarks belong to their respective owners.</p>
<td align="right">12.841</td>
<td align="right">292.688</td>
</tr>
+<tr class="odd">
+<td align="left">Ryzen 9 7950X</td>
+<td align="left">Linux</td>
+<td align="left">1.2.4</td>
+<td align="left">3.2</td>
+<td align="right">12.160</td>
+<td align="right">265.934</td>
+</tr>
</tbody>
</table>
</div>
@@ -600,6 +628,13 @@ systems. All trademarks belong to their respective owners.</p>
<td align="left">3.2</td>
<td align="right">483.027</td>
</tr>
+<tr class="odd">
+<td align="left">Ryzen 9 7950X</td>
+<td align="left">Linux</td>
+<td align="left">1.2.4</td>
+<td align="left">3.2</td>
+<td align="right">456.252</td>
+</tr>
</tbody>
</table>
</div>

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