diff options
Diffstat (limited to 'docs/articles/web_only')
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(>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(>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(>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(>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.pngBinary files differ 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 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.pngBinary files differ 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 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.pngBinary files differ 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 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.pngBinary files differ 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 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.pngBinary files differ 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 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.pngBinary files differ 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 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.pngBinary files differ 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 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(>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(>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(>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(>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"><-</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(>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"><-</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(>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(>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"><-</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"><-</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"><-</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"><-</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(>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"><-</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(>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"><-</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">## $DFOP</span></span>  <span><span class="co">##          Estimate   Pr(>t)    Lower    Upper</span></span>  <span><span class="co">## parent_0 97.96751 2.85e-13 94.21913 101.7159</span></span> -<span><span class="co">## k1        0.00952 6.28e-02  0.00250   0.0363</span></span> -<span><span class="co">## k2        0.00952 1.27e-04  0.00646   0.0140</span></span> -<span><span class="co">## g         0.21241 5.00e-01  0.00000   1.0000</span></span> +<span><span class="co">## k1        0.00952 6.28e-02  0.00260   0.0349</span></span> +<span><span class="co">## k2        0.00952 1.27e-04  0.00652   0.0139</span></span> +<span><span class="co">## g         0.21241 5.00e-01       NA       NA</span></span>  <span><span class="co">## sigma     4.18778 2.50e-04  2.39747   5.9781</span></span>  <span><span class="co">## </span></span>  <span><span class="co">## </span></span> @@ -946,18 +941,16 @@ same results in mkin and PestDF.</p>  <span><span class="co">## </span></span>  <span><span class="co">## Representative half-life:</span></span>  <span><span class="co">## [1] 41.33</span></span></code></pre> -<div class="sourceCode" id="cb104"><pre class="downlit sourceCode r"> +<div class="sourceCode" id="cb100"><pre class="downlit sourceCode r">  <code class="sourceCode R"><span><span class="va">p15b</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/nafta.html">nafta</a></span><span class="op">(</span><span class="va">NAFTA_SOP_Attachment</span><span class="op">[[</span><span class="st">"p15b"</span><span class="op">]</span><span class="op">]</span><span class="op">)</span></span></code></pre></div> -<pre><code><span><span class="co">## Warning in sqrt(diag(covar)): NaNs produced</span></span></code></pre> -<pre><code><span><span class="co">## Warning in sqrt(1/diag(V)): NaNs produced</span></span></code></pre> -<pre><code><span><span class="co">## Warning in cov2cor(ans$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(>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(>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(>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"><-</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.pngBinary files differ 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 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.pngBinary files differ 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 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.pngBinary files differ 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 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.pngBinary files differ 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 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.pngBinary files differ 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 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.pngBinary files differ 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 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"><-</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"><-</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"><-</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(>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.pngBinary files differ 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 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.pngBinary files differ 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 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.pngBinary files differ 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 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> | 
