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authorJohannes Ranke <jranke@uni-bremen.de>2019-05-03 19:14:15 +0200
committerJohannes Ranke <jranke@uni-bremen.de>2019-05-03 19:14:15 +0200
commit1ef7008be2a72a0847064ad9c2ddcfa16b055482 (patch)
treeecc3f90e5d18c75aea14ad774aad9214039c0674 /docs/articles/web_only/NAFTA_examples.html
parentde7b6acdd75a0f95f2a9522c22625810f4aa329a (diff)
Improve error model fitting
Now we have a three stage fitting process for nonconstant error models: - Unweighted least squares - Only optimize the error model - Optimize both Static documentation rebuilt by pkgdown
Diffstat (limited to 'docs/articles/web_only/NAFTA_examples.html')
-rw-r--r--docs/articles/web_only/NAFTA_examples.html145
1 files changed, 76 insertions, 69 deletions
diff --git a/docs/articles/web_only/NAFTA_examples.html b/docs/articles/web_only/NAFTA_examples.html
index 0ae02f3c..04a60db6 100644
--- a/docs/articles/web_only/NAFTA_examples.html
+++ b/docs/articles/web_only/NAFTA_examples.html
@@ -88,7 +88,7 @@
<h1>Evaluation of example datasets from Attachment 1 to the US EPA SOP for the NAFTA guidance</h1>
<h4 class="author">Johannes Ranke</h4>
- <h4 class="date">2019-05-02</h4>
+ <h4 class="date">2019-05-03</h4>
<div class="hidden name"><code>NAFTA_examples.Rmd</code></div>
@@ -141,7 +141,7 @@
## Estimate Pr(&gt;t) Lower Upper
## parent_0 9.99e+01 1.41e-26 98.8116 101.0810
## k1 2.67e-02 5.05e-06 0.0243 0.0295
-## k2 3.41e-12 5.00e-01 0.0000 Inf
+## k2 2.86e-12 5.00e-01 0.0000 Inf
## g 6.47e-01 3.67e-06 0.6248 0.6677
## sigma 1.27e+00 8.91e-06 0.8395 1.6929
##
@@ -150,7 +150,7 @@
## DT50 DT90 DT50_rep
## SFO 67.7 2.25e+02 6.77e+01
## IORE 58.2 1.07e+03 3.22e+02
-## DFOP 55.5 3.70e+11 2.03e+11
+## DFOP 55.5 4.42e+11 2.42e+11
##
## Representative half-life:
## [1] 321.51</code></pre>
@@ -189,7 +189,7 @@
## Estimate Pr(&gt;t) Lower Upper
## parent_0 9.84e+01 1.24e-27 97.8078 98.9187
## k1 1.55e-02 4.10e-04 0.0143 0.0167
-## k2 8.28e-12 5.00e-01 0.0000 Inf
+## k2 1.16e-11 5.00e-01 0.0000 Inf
## g 6.89e-01 2.92e-03 0.6626 0.7142
## sigma 6.48e-01 2.38e-05 0.4147 0.8813
##
@@ -198,7 +198,7 @@
## DT50 DT90 DT50_rep
## SFO 86.6 2.88e+02 8.66e+01
## IORE 85.5 7.17e+02 2.16e+02
-## DFOP 83.6 1.37e+11 8.37e+10
+## DFOP 83.6 9.80e+10 5.98e+10
##
## Representative half-life:
## [1] 215.87</code></pre>
@@ -222,7 +222,7 @@
## Parameters:
## $SFO
## Estimate Pr(&gt;t) Lower Upper
-## parent_0 94.7759 7.29e-24 92.3479 97.2039
+## parent_0 94.7759 7.29e-24 92.3478 97.2039
## k_parent_sink 0.0179 8.02e-16 0.0166 0.0194
## sigma 3.0696 3.81e-06 2.0456 4.0936
##
@@ -237,7 +237,7 @@
## Estimate Pr(&gt;t) Lower Upper
## parent_0 9.66e+01 1.57e-25 95.3476 97.8979
## k1 2.55e-02 7.33e-06 0.0233 0.0278
-## k2 3.87e-11 5.00e-01 0.0000 Inf
+## k2 4.90e-11 5.00e-01 0.0000 Inf
## g 8.61e-01 7.55e-06 0.8314 0.8867
## sigma 1.46e+00 6.93e-06 0.9661 1.9483
##
@@ -246,7 +246,7 @@
## DT50 DT90 DT50_rep
## SFO 38.6 1.28e+02 3.86e+01
## IORE 34.0 1.77e+02 5.32e+01
-## DFOP 34.1 8.43e+09 1.79e+10
+## DFOP 34.1 6.66e+09 1.41e+10
##
## Representative half-life:
## [1] 53.17</code></pre>
@@ -285,7 +285,7 @@
## Estimate Pr(&gt;t) Lower Upper
## parent_0 9.89e+01 9.44e-49 95.4640 102.2573
## k1 1.81e-02 1.75e-01 0.0116 0.0281
-## k2 2.46e-10 5.00e-01 0.0000 Inf
+## k2 1.97e-10 5.00e-01 0.0000 Inf
## g 6.06e-01 2.19e-01 0.4826 0.7178
## sigma 7.40e+00 2.97e-15 6.0201 8.7754
##
@@ -294,7 +294,7 @@
## DT50 DT90 DT50_rep
## SFO 94.3 3.13e+02 9.43e+01
## IORE 96.7 1.51e+03 4.55e+02
-## DFOP 96.4 5.58e+09 2.82e+09
+## DFOP 96.4 6.97e+09 3.52e+09
##
## Representative half-life:
## [1] 454.55</code></pre>
@@ -397,7 +397,7 @@
## Estimate Pr(&gt;t) Lower Upper
## parent_0 9.85e+01 2.54e-20 97.390 99.672
## k1 1.38e-01 3.52e-05 0.131 0.146
-## k2 5.75e-13 5.00e-01 0.000 Inf
+## k2 6.02e-13 5.00e-01 0.000 Inf
## g 6.52e-01 8.13e-06 0.642 0.661
## sigma 7.88e-01 6.13e-02 0.481 1.095
##
@@ -406,7 +406,7 @@
## DT50 DT90 DT50_rep
## SFO 16.9 5.63e+01 1.69e+01
## IORE 11.6 3.37e+02 1.01e+02
-## DFOP 10.5 2.17e+12 1.21e+12
+## DFOP 10.5 2.07e+12 1.15e+12
##
## Representative half-life:
## [1] 101.43</code></pre>
@@ -416,12 +416,16 @@
<h2 class="hasAnchor">
<a href="#example-on-page-9-lower-panel" class="anchor"></a>Example on page 9, lower panel</h2>
<div class="sourceCode" id="cb38"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb38-1" title="1">p9b &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p9b"</span>]])</a></code></pre></div>
+<pre><code>## Warning in sqrt(diag(covar)): NaNs wurden erzeugt</code></pre>
<pre><code>## Warning in sqrt(diag(covar_notrans)): NaNs wurden erzeugt</code></pre>
+<pre><code>## Warning in sqrt(1/diag(V)): NaNs wurden erzeugt</code></pre>
+<pre><code>## Warning in cov2cor(ans$cov.unscaled): diag(.) had 0 or NA entries; non-
+## finite result is doubtful</code></pre>
<pre><code>## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</code></pre>
<pre><code>## The half-life obtained from the IORE model may be used</code></pre>
-<div class="sourceCode" id="cb42"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb42-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p9b)</a></code></pre></div>
+<div class="sourceCode" id="cb45"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb45-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p9b)</a></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p9b-1.png" width="700"></p>
-<div class="sourceCode" id="cb43"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb43-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p9b)</a></code></pre></div>
+<div class="sourceCode" id="cb46"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb46-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p9b)</a></code></pre></div>
<pre><code>## Sums of squares:
## SFO IORE DFOP
## 35.64867 23.22334 35.64867
@@ -446,9 +450,9 @@
## $DFOP
## Estimate Pr(&gt;t) Lower Upper
## parent_0 94.7123 1.61e-16 93.1355 96.2891
-## k1 0.0389 NaN 0.0306 0.0495
-## k2 0.0389 1.10e-06 0.0186 0.0812
-## g 0.7598 NaN 0.0000 1.0000
+## k1 0.0389 1.43e-06 0.0312 0.0485
+## k2 0.0389 6.67e-03 0.0186 0.0812
+## g 0.7742 NaN NA NA
## sigma 1.5957 2.50e-04 0.9135 2.2779
##
##
@@ -465,12 +469,12 @@
<div id="example-on-page-10" class="section level2">
<h2 class="hasAnchor">
<a href="#example-on-page-10" class="anchor"></a>Example on page 10</h2>
-<div class="sourceCode" id="cb45"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb45-1" title="1">p10 &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p10"</span>]])</a></code></pre></div>
+<div class="sourceCode" id="cb48"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb48-1" title="1">p10 &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p10"</span>]])</a></code></pre></div>
<pre><code>## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</code></pre>
<pre><code>## The half-life obtained from the IORE model may be used</code></pre>
-<div class="sourceCode" id="cb48"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb48-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p10)</a></code></pre></div>
+<div class="sourceCode" id="cb51"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb51-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p10)</a></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p10-1.png" width="700"></p>
-<div class="sourceCode" id="cb49"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb49-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p10)</a></code></pre></div>
+<div class="sourceCode" id="cb52"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb52-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p10)</a></code></pre></div>
<pre><code>## Sums of squares:
## SFO IORE DFOP
## 899.4089 336.4348 899.4089
@@ -495,8 +499,8 @@
## $DFOP
## Estimate Pr(&gt;t) Lower Upper
## parent_0 101.7315 1.41e-09 91.6534 111.8097
-## k1 0.0495 6.41e-04 0.0303 0.0809
-## k2 0.0495 1.66e-02 0.0201 0.1219
+## k1 0.0495 6.42e-04 0.0301 0.0814
+## k2 0.0495 1.66e-02 0.0200 0.1225
## g 0.6634 5.00e-01 0.0000 1.0000
## sigma 8.0152 2.50e-04 4.5886 11.4418
##
@@ -518,12 +522,12 @@
<div id="example-on-page-11" class="section level2">
<h2 class="hasAnchor">
<a href="#example-on-page-11" class="anchor"></a>Example on page 11</h2>
-<div class="sourceCode" id="cb51"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb51-1" title="1">p11 &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p11"</span>]])</a></code></pre></div>
+<div class="sourceCode" id="cb54"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb54-1" title="1">p11 &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p11"</span>]])</a></code></pre></div>
<pre><code>## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</code></pre>
<pre><code>## The half-life obtained from the IORE model may be used</code></pre>
-<div class="sourceCode" id="cb54"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb54-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p11)</a></code></pre></div>
+<div class="sourceCode" id="cb57"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb57-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p11)</a></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p11-1.png" width="700"></p>
-<div class="sourceCode" id="cb55"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb55-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p11)</a></code></pre></div>
+<div class="sourceCode" id="cb58"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb58-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p11)</a></code></pre></div>
<pre><code>## Sums of squares:
## SFO IORE DFOP
## 579.6805 204.7932 144.7783
@@ -549,7 +553,7 @@
## Estimate Pr(&gt;t) Lower Upper
## parent_0 1.05e+02 9.47e-13 99.9990 109.1224
## k1 4.41e-02 5.95e-03 0.0296 0.0658
-## k2 9.20e-13 5.00e-01 0.0000 Inf
+## k2 7.25e-13 5.00e-01 0.0000 Inf
## g 3.22e-01 1.45e-03 0.2814 0.3650
## sigma 3.22e+00 3.52e-04 1.8410 4.5906
##
@@ -558,7 +562,7 @@
## DT50 DT90 DT50_rep
## SFO 2.16e+02 7.18e+02 2.16e+02
## IORE 9.73e+02 1.37e+08 4.11e+07
-## DFOP 3.31e+11 2.08e+12 7.53e+11
+## DFOP 4.21e+11 2.64e+12 9.56e+11
##
## Representative half-life:
## [1] 41148169</code></pre>
@@ -572,19 +576,14 @@
<div id="example-on-page-12-upper-panel" class="section level2">
<h2 class="hasAnchor">
<a href="#example-on-page-12-upper-panel" class="anchor"></a>Example on page 12, upper panel</h2>
-<div class="sourceCode" id="cb57"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb57-1" title="1">p12a &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p12a"</span>]])</a></code></pre></div>
+<div class="sourceCode" id="cb60"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb60-1" title="1">p12a &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p12a"</span>]])</a></code></pre></div>
<pre><code>## Warning in summary.mkinfit(x): Could not estimate covariance matrix;
## singular system.</code></pre>
-<pre><code>## Warning in sqrt(diag(covar)): NaNs wurden erzeugt</code></pre>
-<pre><code>## Warning in sqrt(diag(covar_notrans)): NaNs wurden erzeugt</code></pre>
-<pre><code>## Warning in sqrt(1/diag(V)): NaNs wurden erzeugt</code></pre>
-<pre><code>## Warning in cov2cor(ans$cov.unscaled): diag(.) had 0 or NA entries; non-
-## finite result is doubtful</code></pre>
<pre><code>## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</code></pre>
<pre><code>## The half-life obtained from the IORE model may be used</code></pre>
-<div class="sourceCode" id="cb65"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb65-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p12a)</a></code></pre></div>
+<div class="sourceCode" id="cb64"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb64-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p12a)</a></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p12a-1.png" width="700"></p>
-<div class="sourceCode" id="cb66"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb66-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p12a)</a></code></pre></div>
+<div class="sourceCode" id="cb65"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb65-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p12a)</a></code></pre></div>
<pre><code>## Sums of squares:
## SFO IORE DFOP
## 695.4440 220.0685 695.4440
@@ -609,9 +608,9 @@
## $DFOP
## Estimate Pr(&gt;t) Lower Upper
## parent_0 100.521 2.74e-10 92.2366 108.805
-## k1 0.124 5.43e-06 0.0959 0.161
-## k2 0.124 6.45e-02 0.0315 0.490
-## g 0.880 NaN NA NA
+## k1 0.124 5.74e-06 0.0958 0.161
+## k2 0.124 6.61e-02 0.0319 0.484
+## g 0.877 5.00e-01 0.0000 1.000
## sigma 7.048 2.50e-04 4.0349 10.061
##
##
@@ -627,7 +626,7 @@
<div id="example-on-page-12-lower-panel" class="section level2">
<h2 class="hasAnchor">
<a href="#example-on-page-12-lower-panel" class="anchor"></a>Example on page 12, lower panel</h2>
-<div class="sourceCode" id="cb68"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb68-1" title="1">p12b &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p12b"</span>]])</a></code></pre></div>
+<div class="sourceCode" id="cb67"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb67-1" title="1">p12b &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p12b"</span>]])</a></code></pre></div>
<pre><code>## Warning in sqrt(diag(covar)): NaNs wurden erzeugt</code></pre>
<pre><code>## Warning in qt(alpha/2, rdf): NaNs wurden erzeugt</code></pre>
<pre><code>## Warning in qt(1 - alpha/2, rdf): NaNs wurden erzeugt</code></pre>
@@ -638,9 +637,9 @@
## finite result is doubtful</code></pre>
<pre><code>## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</code></pre>
<pre><code>## The half-life obtained from the IORE model may be used</code></pre>
-<div class="sourceCode" id="cb78"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb78-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p12b)</a></code></pre></div>
+<div class="sourceCode" id="cb77"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb77-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p12b)</a></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p12b-1.png" width="700"></p>
-<div class="sourceCode" id="cb79"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb79-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p12b)</a></code></pre></div>
+<div class="sourceCode" id="cb78"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb78-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p12b)</a></code></pre></div>
<pre><code>## Sums of squares:
## SFO IORE DFOP
## 58.90242 19.06353 58.90242
@@ -667,7 +666,7 @@
## parent_0 97.6840 NaN NaN NaN
## k1 0.0589 NaN NA NA
## k2 0.0589 NaN NA NA
-## g 0.8275 NaN NA NA
+## g 0.6902 NaN NA NA
## sigma 3.4323 NaN NaN NaN
##
##
@@ -683,12 +682,16 @@
<div id="example-on-page-13" class="section level2">
<h2 class="hasAnchor">
<a href="#example-on-page-13" class="anchor"></a>Example on page 13</h2>
-<div class="sourceCode" id="cb81"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb81-1" title="1">p13 &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p13"</span>]])</a></code></pre></div>
+<div class="sourceCode" id="cb80"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb80-1" title="1">p13 &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p13"</span>]])</a></code></pre></div>
+<pre><code>## Warning in sqrt(diag(covar)): NaNs wurden erzeugt</code></pre>
+<pre><code>## Warning in sqrt(1/diag(V)): NaNs wurden erzeugt</code></pre>
+<pre><code>## Warning in cov2cor(ans$cov.unscaled): diag(.) had 0 or NA entries; non-
+## finite result is doubtful</code></pre>
<pre><code>## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</code></pre>
<pre><code>## The half-life obtained from the IORE model may be used</code></pre>
-<div class="sourceCode" id="cb84"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb84-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p13)</a></code></pre></div>
+<div class="sourceCode" id="cb86"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb86-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p13)</a></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p13-1.png" width="700"></p>
-<div class="sourceCode" id="cb85"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb85-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p13)</a></code></pre></div>
+<div class="sourceCode" id="cb87"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb87-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p13)</a></code></pre></div>
<pre><code>## Sums of squares:
## SFO IORE DFOP
## 174.5971 142.3951 174.5971
@@ -713,9 +716,9 @@
## $DFOP
## Estimate Pr(&gt;t) Lower Upper
## parent_0 92.73500 9.25e-15 8.95e+01 9.59e+01
-## k1 0.00258 4.28e-01 1.25e-08 5.31e+02
+## k1 0.00258 4.28e-01 1.70e-08 3.92e+02
## k2 0.00258 3.69e-08 2.20e-03 3.03e-03
-## g 0.00442 5.00e-01 0.00e+00 1.00e+00
+## g 0.00442 5.00e-01 NA NA
## sigma 3.41172 1.35e-04 2.02e+00 4.80e+00
##
##
@@ -732,16 +735,16 @@
<div id="dt50-not-observed-in-the-study-and-dfop-problems-in-pestdf" class="section level1">
<h1 class="hasAnchor">
<a href="#dt50-not-observed-in-the-study-and-dfop-problems-in-pestdf" class="anchor"></a>DT50 not observed in the study and DFOP problems in PestDF</h1>
-<div class="sourceCode" id="cb87"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb87-1" title="1">p14 &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p14"</span>]])</a></code></pre></div>
+<div class="sourceCode" id="cb89"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb89-1" title="1">p14 &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p14"</span>]])</a></code></pre></div>
<pre><code>## Warning in sqrt(diag(covar)): NaNs wurden erzeugt</code></pre>
<pre><code>## Warning in sqrt(1/diag(V)): NaNs wurden erzeugt</code></pre>
<pre><code>## Warning in cov2cor(ans$cov.unscaled): diag(.) had 0 or NA entries; non-
## finite result is doubtful</code></pre>
<pre><code>## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</code></pre>
<pre><code>## The half-life obtained from the IORE model may be used</code></pre>
-<div class="sourceCode" id="cb93"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb93-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p14)</a></code></pre></div>
+<div class="sourceCode" id="cb95"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb95-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p14)</a></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p14-1.png" width="700"></p>
-<div class="sourceCode" id="cb94"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb94-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p14)</a></code></pre></div>
+<div class="sourceCode" id="cb96"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb96-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p14)</a></code></pre></div>
<pre><code>## Sums of squares:
## SFO IORE DFOP
## 48.43249 28.67746 27.26248
@@ -767,7 +770,7 @@
## Estimate Pr(&gt;t) Lower Upper
## parent_0 1.00e+02 2.96e-28 99.40280 101.2768
## k1 9.53e-03 1.20e-01 0.00638 0.0143
-## k2 5.42e-12 5.00e-01 0.00000 Inf
+## k2 7.29e-12 5.00e-01 0.00000 Inf
## g 3.98e-01 2.19e-01 0.30481 0.4998
## sigma 1.17e+00 7.68e-06 0.77406 1.5610
##
@@ -776,7 +779,7 @@
## DT50 DT90 DT50_rep
## SFO 2.48e+02 8.25e+02 2.48e+02
## IORE 4.34e+02 2.22e+04 6.70e+03
-## DFOP 3.41e+10 3.31e+11 1.28e+11
+## DFOP 2.54e+10 2.46e+11 9.51e+10
##
## Representative half-life:
## [1] 6697.44</code></pre>
@@ -785,7 +788,7 @@
<div id="n-is-less-than-1-and-dfop-fraction-parameter-is-below-zero" class="section level1">
<h1 class="hasAnchor">
<a href="#n-is-less-than-1-and-dfop-fraction-parameter-is-below-zero" class="anchor"></a>N is less than 1 and DFOP fraction parameter is below zero</h1>
-<div class="sourceCode" id="cb96"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb96-1" title="1">p15a &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p15a"</span>]])</a></code></pre></div>
+<div class="sourceCode" id="cb98"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb98-1" title="1">p15a &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p15a"</span>]])</a></code></pre></div>
<pre><code>## Warning in sqrt(diag(covar)): NaNs wurden erzeugt</code></pre>
<pre><code>## Warning in sqrt(diag(covar_notrans)): NaNs wurden erzeugt</code></pre>
<pre><code>## Warning in sqrt(1/diag(V)): NaNs wurden erzeugt</code></pre>
@@ -793,9 +796,9 @@
## finite result is doubtful</code></pre>
<pre><code>## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</code></pre>
<pre><code>## The half-life obtained from the IORE model may be used</code></pre>
-<div class="sourceCode" id="cb103"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb103-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p15a)</a></code></pre></div>
+<div class="sourceCode" id="cb105"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb105-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p15a)</a></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p15a-1.png" width="700"></p>
-<div class="sourceCode" id="cb104"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb104-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p15a)</a></code></pre></div>
+<div class="sourceCode" id="cb106"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb106-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p15a)</a></code></pre></div>
<pre><code>## Sums of squares:
## SFO IORE DFOP
## 245.5248 135.0132 245.5248
@@ -819,10 +822,10 @@
##
## $DFOP
## Estimate Pr(&gt;t) Lower Upper
-## parent_0 97.96751 2.85e-13 94.21913 101.7159
-## k1 0.00952 5.68e-02 0.00262 0.0347
-## k2 0.00952 1.52e-04 0.00639 0.0142
-## g 0.22357 NaN NA NA
+## parent_0 97.96752 2.85e-13 94.21914 101.7159
+## k1 0.00952 6.80e-02 0.00277 0.0327
+## k2 0.00952 3.82e-06 0.00902 0.0100
+## g 0.17247 NaN NA NA
## sigma 4.18778 2.50e-04 2.39747 5.9781
##
##
@@ -834,12 +837,16 @@
##
## Representative half-life:
## [1] 41.33</code></pre>
-<div class="sourceCode" id="cb106"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb106-1" title="1">p15b &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p15b"</span>]])</a></code></pre></div>
+<div class="sourceCode" id="cb108"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb108-1" title="1">p15b &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p15b"</span>]])</a></code></pre></div>
+<pre><code>## Warning in sqrt(diag(covar)): NaNs wurden erzeugt</code></pre>
+<pre><code>## Warning in sqrt(1/diag(V)): NaNs wurden erzeugt</code></pre>
+<pre><code>## Warning in cov2cor(ans$cov.unscaled): diag(.) had 0 or NA entries; non-
+## finite result is doubtful</code></pre>
<pre><code>## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</code></pre>
<pre><code>## The half-life obtained from the IORE model may be used</code></pre>
-<div class="sourceCode" id="cb109"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb109-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p15b)</a></code></pre></div>
+<div class="sourceCode" id="cb114"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb114-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p15b)</a></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p15b-1.png" width="700"></p>
-<div class="sourceCode" id="cb110"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb110-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p15b)</a></code></pre></div>
+<div class="sourceCode" id="cb115"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb115-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p15b)</a></code></pre></div>
<pre><code>## Sums of squares:
## SFO IORE DFOP
## 106.91629 68.55574 106.91629
@@ -864,9 +871,9 @@
## $DFOP
## Estimate Pr(&gt;t) Lower Upper
## parent_0 1.01e+02 NA 9.82e+01 1.04e+02
-## k1 4.86e-03 NA 6.49e-04 3.64e-02
-## k2 4.86e-03 NA 3.36e-03 7.03e-03
-## g 1.50e-01 NA 0.00e+00 1.00e+00
+## k1 4.86e-03 NA 6.75e-04 3.49e-02
+## k2 4.86e-03 NA 3.37e-03 6.99e-03
+## g 1.50e-01 NA NA NA
## sigma 2.76e+00 NA 1.58e+00 3.94e+00
##
##
@@ -883,14 +890,14 @@
<div id="the-dfop-fraction-parameter-is-greater-than-1" class="section level1">
<h1 class="hasAnchor">
<a href="#the-dfop-fraction-parameter-is-greater-than-1" class="anchor"></a>The DFOP fraction parameter is greater than 1</h1>
-<div class="sourceCode" id="cb112"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb112-1" title="1">p16 &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p16"</span>]])</a></code></pre></div>
+<div class="sourceCode" id="cb117"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb117-1" title="1">p16 &lt;-<span class="st"> </span><span class="kw"><a href="../../reference/nafta.html">nafta</a></span>(NAFTA_SOP_Attachment[[<span class="st">"p16"</span>]])</a></code></pre></div>
<pre><code>## The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</code></pre>
<pre><code>## The representative half-life of the IORE model is longer than the one corresponding</code></pre>
<pre><code>## to the terminal degradation rate found with the DFOP model.</code></pre>
<pre><code>## The representative half-life obtained from the DFOP model may be used</code></pre>
-<div class="sourceCode" id="cb117"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb117-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p16)</a></code></pre></div>
+<div class="sourceCode" id="cb122"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb122-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(p16)</a></code></pre></div>
<p><img src="NAFTA_examples_files/figure-html/p16-1.png" width="700"></p>
-<div class="sourceCode" id="cb118"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb118-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p16)</a></code></pre></div>
+<div class="sourceCode" id="cb123"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb123-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/print">print</a></span>(p16)</a></code></pre></div>
<pre><code>## Sums of squares:
## SFO IORE DFOP
## 3831.804 2062.008 1550.980
@@ -915,7 +922,7 @@
## $DFOP
## Estimate Pr(&gt;t) Lower Upper
## parent_0 88.5333 7.40e-18 79.9836 97.083
-## k1 18.6315 5.00e-01 0.0000 Inf
+## k1 18.5561 5.00e-01 0.0000 Inf
## k2 0.0776 1.41e-05 0.0518 0.116
## g 0.4733 1.41e-09 0.3674 0.582
## sigma 7.1902 2.11e-08 5.2785 9.102

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