diff options
| author | Johannes Ranke <jranke@uni-bremen.de> | 2019-02-26 20:28:15 +0100 | 
|---|---|---|
| committer | Johannes Ranke <jranke@uni-bremen.de> | 2019-02-26 20:33:32 +0100 | 
| commit | 396e40d2c45d81a8e74c41a2f632665021e980a1 (patch) | |
| tree | c7ab9b5356361b1939e9b00183a7f31071782f64 /docs/reference | |
| parent | 64e636d11311be57978ef394c48c9b43fe219059 (diff) | |
NAFTA SOP Attachment vignette
Also:
- Change rounding in print.nafta
- Add dots argument to nafta()
- Use cores=1 in examples
- Restrict N in IORE model to values > 0
Diffstat (limited to 'docs/reference')
| -rw-r--r-- | docs/reference/AIC.mmkin.html | 4 | ||||
| -rw-r--r-- | docs/reference/Extract.mmkin.html | 12 | ||||
| -rw-r--r-- | docs/reference/NAFTA_SOP_2015.html | 13 | ||||
| -rw-r--r-- | docs/reference/NAFTA_SOP_Attachment-1.png | bin | 0 -> 42277 bytes | |||
| -rw-r--r-- | docs/reference/NAFTA_SOP_Attachment.html | 217 | ||||
| -rw-r--r-- | docs/reference/index.html | 4 | ||||
| -rw-r--r-- | docs/reference/mccall81_245T.html | 12 | ||||
| -rw-r--r-- | docs/reference/mkinfit.html | 44 | ||||
| -rw-r--r-- | docs/reference/mkinmod.html | 2 | ||||
| -rw-r--r-- | docs/reference/mkinpredict.html | 4 | ||||
| -rw-r--r-- | docs/reference/mmkin.html | 4 | ||||
| -rw-r--r-- | docs/reference/nafta.html | 19 | ||||
| -rw-r--r-- | docs/reference/plot.nafta.html | 12 | ||||
| -rw-r--r-- | docs/reference/print.nafta.html | 8 | ||||
| -rw-r--r-- | docs/reference/summary.mkinfit.html | 6 | ||||
| -rw-r--r-- | docs/reference/transform_odeparms.html | 24 | 
16 files changed, 310 insertions, 75 deletions
diff --git a/docs/reference/AIC.mmkin.html b/docs/reference/AIC.mmkin.html index 69552d5f..2a4a6de4 100644 --- a/docs/reference/AIC.mmkin.html +++ b/docs/reference/AIC.mmkin.html @@ -160,8 +160,8 @@      <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>      <pre class="examples"><div class='input'>  <span class='no'>f</span> <span class='kw'><-</span> <span class='fu'><a href='mmkin.html'>mmkin</a></span>(<span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/c'>c</a></span>(<span class='st'>"SFO"</span>, <span class='st'>"FOMC"</span>, <span class='st'>"DFOP"</span>),      <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/list'>list</a></span>(<span class='st'>"FOCUS A"</span> <span class='kw'>=</span> <span class='no'>FOCUS_2006_A</span>, -         <span class='st'>"FOCUS C"</span> <span class='kw'>=</span> <span class='no'>FOCUS_2006_C</span>)) -  <span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/AIC'>AIC</a></span>(<span class='no'>f</span>[<span class='fl'>1</span>, <span class='st'>"FOCUS A"</span>]) <span class='co'># We get a single number for a single fit</span></div><div class='output co'>#> [1] 55.32452</div><div class='input'> +         <span class='st'>"FOCUS C"</span> <span class='kw'>=</span> <span class='no'>FOCUS_2006_C</span>), <span class='kw'>cores</span> <span class='kw'>=</span> <span class='fl'>1</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</div><div class='output co'>#> <span class='warning'>Warning: Optimisation by method Port did not converge:</span> +#> <span class='warning'>false convergence (8)</span></div><div class='input'>  <span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/AIC'>AIC</a></span>(<span class='no'>f</span>[<span class='fl'>1</span>, <span class='st'>"FOCUS A"</span>]) <span class='co'># We get a single number for a single fit</span></div><div class='output co'>#> [1] 55.32452</div><div class='input'>    <span class='co'># For FOCUS A, the models fit almost equally well, so the higher the number</span>    <span class='co'># of parameters, the higher (worse) the AIC</span>    <span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/AIC'>AIC</a></span>(<span class='no'>f</span>[, <span class='st'>"FOCUS A"</span>])</div><div class='output co'>#>      df      AIC diff --git a/docs/reference/Extract.mmkin.html b/docs/reference/Extract.mmkin.html index 873d75bd..f10805a0 100644 --- a/docs/reference/Extract.mmkin.html +++ b/docs/reference/Extract.mmkin.html @@ -280,7 +280,7 @@  #>   #> $time  #>        User      System verstrichen  -#>       0.195       0.000       0.195  +#>       0.071       0.000       0.071   #>   #> $mkinmod  #> <mkinmod> model generated with @@ -469,8 +469,8 @@  #>     }  #>     return(mC)  #> } -#> <bytecode: 0x55555925ca08> -#> <environment: 0x55555b668200> +#> <bytecode: 0x55555bb55ad0> +#> <environment: 0x55555c4dcf70>  #>   #> $cost_notrans  #> function (P)  @@ -492,8 +492,8 @@  #>         scaleVar = scaleVar)  #>     return(mC)  #> } -#> <bytecode: 0x55555a590818> -#> <environment: 0x55555b668200> +#> <bytecode: 0x55555c537298> +#> <environment: 0x55555c4dcf70>  #>   #> $hessian_notrans  #>                   parent_0 k_parent_sink @@ -560,7 +560,7 @@  #> 99.17407   #>   #> $date -#> [1] "Tue Feb 26 09:27:10 2019" +#> [1] "Tue Feb 26 20:23:09 2019"  #>   #> $version  #> [1] "0.9.48.1" diff --git a/docs/reference/NAFTA_SOP_2015.html b/docs/reference/NAFTA_SOP_2015.html index 4a2c71a9..f4d89222 100644 --- a/docs/reference/NAFTA_SOP_2015.html +++ b/docs/reference/NAFTA_SOP_2015.html @@ -152,7 +152,8 @@      <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> -    <pre class="examples"><div class='input'>  <span class='no'>nafta_evaluation</span> <span class='kw'><-</span> <span class='fu'><a href='nafta.html'>nafta</a></span>(<span class='no'>NAFTA_SOP_Appendix_D</span>)</div><div class='output co'>#> <span class='message'>The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></div><div class='output co'>#> <span class='message'>The representative half-life of the IORE model is longer than the one corresponding</span></div><div class='output co'>#> <span class='message'>to the terminal degradation rate found with the DFOP model.</span></div><div class='output co'>#> <span class='message'>The representative half-life obtained from the DFOP model may be used</span></div><div class='input'>  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>nafta_evaluation</span>)</div><div class='output co'>#> Sums of squares: +    <pre class="examples"><div class='input'>  <span class='no'>nafta_evaluation</span> <span class='kw'><-</span> <span class='fu'><a href='nafta.html'>nafta</a></span>(<span class='no'>NAFTA_SOP_Appendix_D</span>, <span class='kw'>cores</span> <span class='kw'>=</span> <span class='fl'>1</span>)</div><div class='output co'>#> <span class='warning'>Warning: Calculation of the Jacobian failed for the cost function of the untransformed model.</span> +#> <span class='warning'>No t-test results will be available</span></div><div class='output co'>#> <span class='message'>The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></div><div class='output co'>#> <span class='message'>The representative half-life of the IORE model is longer than the one corresponding</span></div><div class='output co'>#> <span class='message'>to the terminal degradation rate found with the DFOP model.</span></div><div class='output co'>#> <span class='message'>The representative half-life obtained from the DFOP model may be used</span></div><div class='input'>  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>nafta_evaluation</span>)</div><div class='output co'>#> Sums of squares:  #>       SFO      IORE      DFOP   #> 1378.6832  615.7730  517.8836   #>  @@ -168,8 +169,8 @@  #> $IORE  #>                         Estimate Pr(>t)        Lower        Upper  #> parent_0            9.685291e+01     NA 8.752855e+01 1.061773e+02 -#> k__iore_parent_sink 8.403374e-14     NA 1.092054e-19 6.466412e-08 -#> N_parent            6.684458e+00     NA 3.538511e+00 9.830405e+00 +#> k__iore_parent_sink 8.403401e-14     NA 1.092058e-19 6.466429e-08 +#> N_parent            6.684457e+00     NA 3.538510e+00 9.830404e+00  #>   #> $DFOP  #>              Estimate       Pr(>t)        Lower        Upper @@ -181,9 +182,9 @@  #>   #> DTx values:  #>      DT50    DT90 DT50_rep -#> SFO   407    1352      407 -#> IORE  541 5192066  1562968 -#> DFOP  429    2383      841 +#> SFO   407    1350      407 +#> IORE  541 5190000  1560000 +#> DFOP  429    2380      841  #>   #> Representative half-life:  #> [1] 841.4096</div><div class='input'>  <span class='fu'><a href='https://www.rdocumentation.org/packages/graphics/topics/plot'>plot</a></span>(<span class='no'>nafta_evaluation</span>)</div><div class='img'><img src='NAFTA_SOP_2015-1.png' alt='' width='700' height='433' /></div></pre> diff --git a/docs/reference/NAFTA_SOP_Attachment-1.png b/docs/reference/NAFTA_SOP_Attachment-1.png Binary files differnew file mode 100644 index 00000000..d781cdb0 --- /dev/null +++ b/docs/reference/NAFTA_SOP_Attachment-1.png diff --git a/docs/reference/NAFTA_SOP_Attachment.html b/docs/reference/NAFTA_SOP_Attachment.html new file mode 100644 index 00000000..63b47855 --- /dev/null +++ b/docs/reference/NAFTA_SOP_Attachment.html @@ -0,0 +1,217 @@ +<!-- Generated by pkgdown: do not edit by hand --> +<!DOCTYPE html> +<html lang="en"> +  <head> +  <meta charset="utf-8"> +<meta http-equiv="X-UA-Compatible" content="IE=edge"> +<meta 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<span class="icon-bar"></span> +      </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">0.9.48.1</span> +      </span> +    </div> + +    <div id="navbar" class="navbar-collapse collapse"> +      <ul class="nav navbar-nav"> +        <li> +  <a href="../reference/index.html">Functions and data</a> +</li> +<li class="dropdown"> +  <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" aria-expanded="false"> +    Articles +      +    <span class="caret"></span> +  </a> +  <ul class="dropdown-menu" role="menu"> +    <li> +      <a href="../articles/mkin.html">Introduction to mkin</a> +    </li> +    <li> +      <a href="../articles/FOCUS_D.html">Example evaluation of FOCUS Example Dataset D</a> +    </li> +    <li> +      <a href="../articles/FOCUS_L.html">Example evaluation of FOCUS Laboratory Data L1 to L3</a> +    </li> +    <li> +      <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> +    </li> +    <li> +      <a href="../articles/web_only/compiled_models.html">Performance benefit by using compiled model definitions in mkin</a> +    </li> +    <li> +      <a href="../articles/twa.html">Calculation of time weighted average concentrations with mkin</a> +    </li> +  </ul> +</li> +<li> +  <a href="../news/index.html">News</a> +</li> +      </ul> +       +      <ul class="nav navbar-nav navbar-right"> +         +      </ul> +       +    </div><!--/.nav-collapse --> +  </div><!--/.container --> +</div><!--/.navbar --> + +       +      </header> + +<div class="row"> +  <div class="col-md-9 contents"> +    <div class="page-header"> +    <h1>Example datasets from Attachment 1 to the NAFTA SOP published 2015</h1> +     +    <div class="hidden name"><code>NAFTA_SOP_Attachment.Rd</code></div> +    </div> + +    <div class="ref-description"> +     +    <p>Data taken from from Attachment 1 of the SOP.</p> +     +    </div> + +    <pre class="usage"><span class='no'>NAFTA_SOP_Attachment</span></pre> +         +    <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2> + +    <p>Additionally, a list (NAFTA_SOP_Attachment) containing 16 datasets suitable +  for the evaluation with <code><a href='nafta.html'>nafta</a></code></p> +     +    <h2 class="hasAnchor" id="source"><a class="anchor" href="#source"></a>Source</h2> + +    <p>NAFTA (2011) Guidance for evaluating and calculating degradation kinetics +  in environmental media. NAFTA Technical Working Group on Pesticides +  <a href='https://www.epa.gov/pesticide-science-and-assessing-pesticide-risks/guidance-evaluating-and-calculating-degradation'>https://www.epa.gov/pesticide-science-and-assessing-pesticide-risks/guidance-evaluating-and-calculating-degradation</a> +  accessed 2019-02-22</p> +<p>US EPA (2015) Standard Operating Procedure for Using the NAFTA Guidance to +  Calculate Representative Half-life Values and Characterizing Pesticide +  Degradation +  <a href='https://www.epa.gov/pesticide-science-and-assessing-pesticide-risks/standard-operating-procedure-using-nafta-guidance'>https://www.epa.gov/pesticide-science-and-assessing-pesticide-risks/standard-operating-procedure-using-nafta-guidance</a></p> +     + +    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> +    <pre class="examples"><div class='input'>  <span class='no'>nafta_att_p5a</span> <span class='kw'><-</span> <span class='fu'><a href='nafta.html'>nafta</a></span>(<span class='no'>NAFTA_SOP_Attachment</span><span class='kw'>[[</span><span class='st'>"p5a"</span>]], <span class='kw'>cores</span> <span class='kw'>=</span> <span class='fl'>1</span>)</div><div class='output co'>#> <span class='message'>The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></div><div class='output co'>#> <span class='message'>The half-life obtained from the IORE model may be used</span></div><div class='input'>  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>nafta_att_p5a</span>)</div><div class='output co'>#> Sums of squares: +#>       SFO      IORE      DFOP  +#> 465.21753  56.27506  32.06401  +#>  +#> Critical sum of squares for checking the SFO model: +#> [1] 64.4304 +#>  +#> Parameters: +#> $SFO +#>                  Estimate       Pr(>t)        Lower       Upper +#> parent_0      95.84012168 1.095639e-21 92.120517864 99.55972549 +#> k_parent_sink  0.01024015 1.710227e-12  0.008996874  0.01165524 +#>  +#> $IORE +#>                         Estimate       Pr(>t)        Lower        Upper +#> parent_0            1.007532e+02 2.365797e-26 9.891170e+01 1.025947e+02 +#> k__iore_parent_sink 1.544192e-05 8.733384e-02 3.482391e-06 6.847393e-05 +#> N_parent            2.569877e+00 1.140446e-11 2.215298e+00 2.924456e+00 +#>  +#> $DFOP +#>              Estimate       Pr(>t) Lower Upper +#> parent_0 9.994630e+01 4.330861e-27    NA    NA +#> k1       2.674255e-02 3.171390e-05    NA    NA +#> k2       2.161318e-12 5.000000e-01    NA    NA +#> g        6.465276e-01 2.129114e-05    NA    NA +#>  +#>  +#> DTx values: +#>      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 5.84e+11 3.21e+11 +#>  +#> Representative half-life: +#> [1] 321.5119</div><div class='input'>  <span class='fu'><a href='https://www.rdocumentation.org/packages/graphics/topics/plot'>plot</a></span>(<span class='no'>nafta_att_p5a</span>)</div><div class='img'><img src='NAFTA_SOP_Attachment-1.png' alt='' width='700' height='433' /></div></pre> +  </div> +  <div class="col-md-3 hidden-xs hidden-sm" id="sidebar"> +    <h2>Contents</h2> +    <ul class="nav nav-pills nav-stacked"> +       +      <li><a href="#format">Format</a></li> + +      <li><a href="#source">Source</a></li> +       +      <li><a href="#examples">Examples</a></li> +    </ul> + +  </div> +</div> + +      <footer> +      <div class="copyright"> +  <p>Developed by Johannes Ranke.</p> +</div> + +<div class="pkgdown"> +  <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.9000.</p> +</div> +      </footer> +   </div> + +   + +  </body> +</html> + diff --git a/docs/reference/index.html b/docs/reference/index.html index a251dc33..4e57fd3d 100644 --- a/docs/reference/index.html +++ b/docs/reference/index.html @@ -338,7 +338,9 @@          <td>            <p><code><a href="plot.nafta.html">plot(<i><nafta></i>)</a></code> </p>          </td> -        <td><p>Plot the results of the three models used in the NAFTA scheme</p></td> +        <td><p>Plot the results of the three models used in the NAFTA scheme. The plots +  are ordered with increasing complexity of the model in this function  +  (SFO, then IORE, then DFOP).</p></td>        </tr>      </tbody><tbody>        <tr> diff --git a/docs/reference/mccall81_245T.html b/docs/reference/mccall81_245T.html index 1845a31c..2e5f0ac2 100644 --- a/docs/reference/mccall81_245T.html +++ b/docs/reference/mccall81_245T.html @@ -160,8 +160,8 @@                           <span class='kw'>anisole</span> <span class='kw'>=</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/list'>list</a></span>(<span class='kw'>type</span> <span class='kw'>=</span> <span class='st'>"SFO"</span>))</div><div class='output co'>#> <span class='message'>Successfully compiled differential equation model from auto-generated C code.</span></div><div class='input'>  </div><div class='input'>    <span class='no'>fit.1</span> <span class='kw'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>SFO_SFO_SFO</span>, <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/subset'>subset</a></span>(<span class='no'>mccall81_245T</span>, <span class='no'>soil</span> <span class='kw'>==</span> <span class='st'>"Commerce"</span>), <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)      <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>fit.1</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>)</div><div class='output co'>#> mkin version used for fitting:    0.9.48.1   #> R version used for fitting:       3.5.2  -#> Date of fit:     Tue Feb 26 09:27:31 2019  -#> Date of summary: Tue Feb 26 09:27:31 2019  +#> Date of fit:     Tue Feb 26 20:23:32 2019  +#> Date of summary: Tue Feb 26 20:23:32 2019   #>   #> Equations:  #> d_T245/dt = - k_T245_sink * T245 - k_T245_phenol * T245 @@ -171,7 +171,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 574 model solutions performed in 3.812 s +#> Fitted with method Port using 574 model solutions performed in 3.765 s  #>   #> Weighting: none  #>  @@ -249,8 +249,8 @@                     <span class='kw'>fixed_parms</span> <span class='kw'>=</span> <span class='st'>"k_phenol_sink"</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)      <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>fit.2</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>)</div><div class='output co'>#> mkin version used for fitting:    0.9.48.1   #> R version used for fitting:       3.5.2  -#> Date of fit:     Tue Feb 26 09:27:33 2019  -#> Date of summary: Tue Feb 26 09:27:33 2019  +#> Date of fit:     Tue Feb 26 20:23:34 2019  +#> Date of summary: Tue Feb 26 20:23:34 2019   #>   #> Equations:  #> d_T245/dt = - k_T245_sink * T245 - k_T245_phenol * T245 @@ -260,7 +260,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 246 model solutions performed in 1.597 s +#> Fitted with method Port using 246 model solutions performed in 1.601 s  #>   #> Weighting: none  #>  diff --git a/docs/reference/mkinfit.html b/docs/reference/mkinfit.html index 53f46988..84c0fc49 100644 --- a/docs/reference/mkinfit.html +++ b/docs/reference/mkinfit.html @@ -438,15 +438,15 @@  <span class='no'>fit</span> <span class='kw'><-</span> <span class='fu'>mkinfit</span>(<span class='st'>"FOMC"</span>, <span class='no'>FOCUS_2006_C</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>fit</span>)</div><div class='output co'>#> mkin version used for fitting:    0.9.48.1   #> R version used for fitting:       3.5.2  -#> Date of fit:     Tue Feb 26 09:27:36 2019  -#> Date of summary: Tue Feb 26 09:27:36 2019  +#> Date of fit:     Tue Feb 26 20:23:36 2019  +#> Date of summary: Tue Feb 26 20:23:36 2019   #>   #> Equations:  #> d_parent/dt = - (alpha/beta) * 1/((time/beta) + 1) * parent  #>   #> Model predictions using solution type analytical   #>  -#> Fitted with method Port using 64 model solutions performed in 0.163 s +#> Fitted with method Port using 64 model solutions performed in 0.161 s  #>   #> Weighting: none  #>  @@ -515,7 +515,7 @@    <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>))</div><div class='output co'>#> <span class='message'>Successfully compiled differential equation model from auto-generated C code.</span></div><div class='input'><span class='co'># Fit the model to the FOCUS example dataset D using defaults</span>  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/system.time'>system.time</a></span>(<span class='no'>fit</span> <span class='kw'><-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFO_SFO</span>, <span class='no'>FOCUS_2006_D</span>,                             <span class='kw'>solution_type</span> <span class='kw'>=</span> <span class='st'>"eigen"</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)))</div><div class='output co'>#>        User      System verstrichen  -#>       1.008       0.000       1.008 </div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/coef'>coef</a></span>(<span class='no'>fit</span>)</div><div class='output co'>#>          parent_0 log_k_parent_sink   log_k_parent_m1     log_k_m1_sink  +#>       1.081       0.000       1.081 </div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/coef'>coef</a></span>(<span class='no'>fit</span>)</div><div class='output co'>#>          parent_0 log_k_parent_sink   log_k_parent_m1     log_k_m1_sink   #>          99.59848          -3.03822          -2.98030          -5.24750 </div><div class='input'><span class='fu'><a href='endpoints.html'>endpoints</a></span>(<span class='no'>fit</span>)</div><div class='output co'>#> $ff  #> parent_sink   parent_m1     m1_sink   #>    0.485524    0.514476    1.000000  @@ -590,7 +590,7 @@  #> Model cost at call  146 :  371.2134   #> Optimisation by method Port successfully terminated.  #>        User      System verstrichen  -#>       0.812       0.000       0.813 </div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/coef'>coef</a></span>(<span class='no'>fit.deSolve</span>)</div><div class='output co'>#>          parent_0 log_k_parent_sink   log_k_parent_m1     log_k_m1_sink  +#>       0.812       0.000       0.812 </div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/coef'>coef</a></span>(<span class='no'>fit.deSolve</span>)</div><div class='output co'>#>          parent_0 log_k_parent_sink   log_k_parent_m1     log_k_m1_sink   #>          99.59848          -3.03822          -2.98030          -5.24750 </div><div class='input'><span class='fu'><a href='endpoints.html'>endpoints</a></span>(<span class='no'>fit.deSolve</span>)</div><div class='output co'>#> $ff  #> parent_sink   parent_m1     m1_sink   #>    0.485524    0.514476    1.000000  @@ -628,8 +628,8 @@                        <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>), <span class='kw'>use_of_ff</span> <span class='kw'>=</span> <span class='st'>"max"</span>)</div><div class='output co'>#> <span class='message'>Successfully compiled differential equation model from auto-generated C code.</span></div><div class='input'><span class='no'>f.noweight</span> <span class='kw'><-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFO_SFO.ff</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>f.noweight</span>)</div><div class='output co'>#> mkin version used for fitting:    0.9.48.1   #> R version used for fitting:       3.5.2  -#> Date of fit:     Tue Feb 26 09:27:48 2019  -#> Date of summary: Tue Feb 26 09:27:48 2019  +#> Date of fit:     Tue Feb 26 20:23:48 2019  +#> Date of summary: Tue Feb 26 20:23:48 2019   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -637,7 +637,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 186 model solutions performed in 0.845 s +#> Fitted with method Port using 186 model solutions performed in 0.852 s  #>   #> Weighting: none  #>  @@ -745,8 +745,8 @@  #>   120       m1    33.31  28.78984  4.520e+00</div><div class='input'><span class='no'>f.irls</span> <span class='kw'><-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFO_SFO.ff</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>reweight.method</span> <span class='kw'>=</span> <span class='st'>"obs"</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>f.irls</span>)</div><div class='output co'>#> mkin version used for fitting:    0.9.48.1   #> R version used for fitting:       3.5.2  -#> Date of fit:     Tue Feb 26 09:27:50 2019  -#> Date of summary: Tue Feb 26 09:27:50 2019  +#> Date of fit:     Tue Feb 26 20:23:51 2019  +#> Date of summary: Tue Feb 26 20:23:51 2019   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -754,7 +754,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 551 model solutions performed in 2.523 s +#> Fitted with method Port using 551 model solutions performed in 2.6 s  #>   #> Weighting: none  #>  @@ -867,8 +867,8 @@  #>   120       m1    33.31  28.80898  4.501e+00 2.722</div><div class='input'><span class='no'>f.w.mean</span> <span class='kw'><-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFO_SFO.ff</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>weight</span> <span class='kw'>=</span> <span class='st'>"mean"</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>f.w.mean</span>)</div><div class='output co'>#> mkin version used for fitting:    0.9.48.1   #> R version used for fitting:       3.5.2  -#> Date of fit:     Tue Feb 26 09:27:51 2019  -#> Date of summary: Tue Feb 26 09:27:51 2019  +#> Date of fit:     Tue Feb 26 20:23:52 2019  +#> Date of summary: Tue Feb 26 20:23:52 2019   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -876,7 +876,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 155 model solutions performed in 0.705 s +#> Fitted with method Port using 155 model solutions performed in 0.704 s  #>   #> Weighting: mean  #>  @@ -985,8 +985,8 @@                       <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>f.w.value</span>)</div><div class='output co'>#> mkin version used for fitting:    0.9.48.1   #> R version used for fitting:       3.5.2  -#> Date of fit:     Tue Feb 26 09:27:52 2019  -#> Date of summary: Tue Feb 26 09:27:52 2019  +#> Date of fit:     Tue Feb 26 20:23:53 2019  +#> Date of summary: Tue Feb 26 20:23:53 2019   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -994,7 +994,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 174 model solutions performed in 0.8 s +#> Fitted with method Port using 174 model solutions performed in 0.796 s  #>   #> Weighting: manual  #>  @@ -1105,8 +1105,8 @@  <span class='no'>f.w.man</span> <span class='kw'><-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFO_SFO.ff</span>, <span class='no'>dw</span>, <span class='kw'>err</span> <span class='kw'>=</span> <span class='st'>"err.man"</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>f.w.man</span>)</div><div class='output co'>#> mkin version used for fitting:    0.9.48.1   #> R version used for fitting:       3.5.2  -#> Date of fit:     Tue Feb 26 09:27:54 2019  -#> Date of summary: Tue Feb 26 09:27:54 2019  +#> Date of fit:     Tue Feb 26 20:23:54 2019  +#> Date of summary: Tue Feb 26 20:23:54 2019   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -1223,8 +1223,8 @@                         <span class='kw'>reweight.method</span> <span class='kw'>=</span> <span class='st'>"obs"</span>)  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>f.w.man.irls</span>)</div><div class='output co'>#> mkin version used for fitting:    0.9.48.1   #> R version used for fitting:       3.5.2  -#> Date of fit:     Tue Feb 26 09:27:57 2019  -#> Date of summary: Tue Feb 26 09:27:57 2019  +#> Date of fit:     Tue Feb 26 20:23:58 2019  +#> Date of summary: Tue Feb 26 20:23:58 2019   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -1232,7 +1232,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 692 model solutions performed in 3.246 s +#> Fitted with method Port using 692 model solutions performed in 3.182 s  #>   #> Weighting: manual  #>  diff --git a/docs/reference/mkinmod.html b/docs/reference/mkinmod.html index bcf39e7f..a6dd68c5 100644 --- a/docs/reference/mkinmod.html +++ b/docs/reference/mkinmod.html @@ -231,7 +231,7 @@ For the definition of model types and their parameters, the equations given  <span class='no'>SFO_SFO</span> <span class='kw'><-</span> <span class='fu'>mkinmod</span>(    <span class='kw'>parent</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>, <span class='st'>"m1"</span>),    <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>), <span class='kw'>verbose</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</div><div class='output co'>#> Compilation argument: -#>  /usr/lib/R/bin/R CMD SHLIB file4a116f6acbf1.c 2> file4a116f6acbf1.c.err.txt  +#>  /usr/lib/R/bin/R CMD SHLIB file240f6aec3e43.c 2> file240f6aec3e43.c.err.txt   #> Program source:  #>   1: #include <R.h>  #>   2:  diff --git a/docs/reference/mkinpredict.html b/docs/reference/mkinpredict.html index a38de769..bab6deb8 100644 --- a/docs/reference/mkinpredict.html +++ b/docs/reference/mkinpredict.html @@ -325,7 +325,7 @@                  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/c'>c</a></span>(<span class='kw'>parent</span> <span class='kw'>=</span> <span class='fl'>100</span>, <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fl'>0</span>), <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/seq'>seq</a></span>(<span class='fl'>0</span>, <span class='fl'>20</span>, <span class='kw'>by</span> <span class='kw'>=</span> <span class='fl'>0.1</span>),                  <span class='kw'>solution_type</span> <span class='kw'>=</span> <span class='st'>"eigen"</span>)[<span class='fl'>201</span>,]))</div><div class='output co'>#>     time   parent       m1  #> 201   20 4.978707 27.46227</div><div class='output co'>#>        User      System verstrichen  -#>       0.004       0.000       0.004 </div><div class='input'>  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/system.time'>system.time</a></span>( +#>       0.003       0.000       0.004 </div><div class='input'>  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/system.time'>system.time</a></span>(      <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='fu'>mkinpredict</span>(<span class='no'>SFO_SFO</span>, <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/c'>c</a></span>(<span class='kw'>k_parent_m1</span> <span class='kw'>=</span> <span class='fl'>0.05</span>, <span class='kw'>k_parent_sink</span> <span class='kw'>=</span> <span class='fl'>0.1</span>, <span class='kw'>k_m1_sink</span> <span class='kw'>=</span> <span class='fl'>0.01</span>),                  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/c'>c</a></span>(<span class='kw'>parent</span> <span class='kw'>=</span> <span class='fl'>100</span>, <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fl'>0</span>), <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/seq'>seq</a></span>(<span class='fl'>0</span>, <span class='fl'>20</span>, <span class='kw'>by</span> <span class='kw'>=</span> <span class='fl'>0.1</span>),                  <span class='kw'>solution_type</span> <span class='kw'>=</span> <span class='st'>"deSolve"</span>)[<span class='fl'>201</span>,]))</div><div class='output co'>#>     time   parent       m1 @@ -335,7 +335,7 @@                  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/c'>c</a></span>(<span class='kw'>parent</span> <span class='kw'>=</span> <span class='fl'>100</span>, <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fl'>0</span>), <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/seq'>seq</a></span>(<span class='fl'>0</span>, <span class='fl'>20</span>, <span class='kw'>by</span> <span class='kw'>=</span> <span class='fl'>0.1</span>),                  <span class='kw'>solution_type</span> <span class='kw'>=</span> <span class='st'>"deSolve"</span>, <span class='kw'>use_compiled</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>)[<span class='fl'>201</span>,]))</div><div class='output co'>#>     time   parent       m1  #> 201   20 4.978707 27.46227</div><div class='output co'>#>        User      System verstrichen  -#>       0.040       0.000       0.039 </div><div class='input'> +#>       0.039       0.000       0.040 </div><div class='input'>    </div><div class='input'>    <span class='co'># Predict from a fitted model</span>      <span class='no'>f</span> <span class='kw'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>SFO_SFO</span>, <span class='no'>FOCUS_2006_C</span>)</div><div class='output co'>#> Model cost at call  1 :  552.5739   #> Model cost at call  3 :  552.5739  diff --git a/docs/reference/mmkin.html b/docs/reference/mmkin.html index 6613f35c..0078baed 100644 --- a/docs/reference/mmkin.html +++ b/docs/reference/mmkin.html @@ -191,8 +191,8 @@  <span class='no'>time_1</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/system.time'>system.time</a></span>(<span class='no'>fits.4</span> <span class='kw'><-</span> <span class='fu'>mmkin</span>(<span class='no'>models</span>, <span class='no'>datasets</span>, <span class='kw'>cores</span> <span class='kw'>=</span> <span class='fl'>1</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>))  <span class='no'>time_default</span></div><div class='output co'>#>        User      System verstrichen  -#>       0.052       0.024       7.037 </div><div class='input'><span class='no'>time_1</span></div><div class='output co'>#>        User      System verstrichen  -#>      22.463       0.000      22.476 </div><div class='input'> +#>       0.059       0.021       6.916 </div><div class='input'><span class='no'>time_1</span></div><div class='output co'>#>        User      System verstrichen  +#>      22.506       0.000      22.518 </div><div class='input'>  <span class='fu'><a href='endpoints.html'>endpoints</a></span>(<span class='no'>fits.0</span><span class='kw'>[[</span><span class='st'>"SFO_lin"</span>, <span class='fl'>2</span>]])</div><div class='output co'>#> $ff  #>   parent_M1 parent_sink       M1_M2     M1_sink   #>   0.7340480   0.2659520   0.7505686   0.2494314  diff --git a/docs/reference/nafta.html b/docs/reference/nafta.html index b1d45272..9b879786 100644 --- a/docs/reference/nafta.html +++ b/docs/reference/nafta.html @@ -133,7 +133,7 @@      </div> -    <pre class="usage"><span class='fu'>nafta</span>(<span class='no'>ds</span>, <span class='kw'>title</span> <span class='kw'>=</span> <span class='fl'>NA</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>)</pre> +    <pre class="usage">nafta(ds, title = NA, quiet = FALSE, …)</pre>      <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2>      <table class="ref-arguments"> @@ -153,6 +153,10 @@        <th>quiet</th>        <td><p>Should the evaluation text be shown?</p></td>      </tr> +    <tr> +      <th>…</th> +      <td><p>Further arguments passed to <code><a href='mmkin.html'>mmkin</a></code>.</p></td> +    </tr>      </table>      <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2> @@ -175,7 +179,8 @@      <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> -    <pre class="examples"><div class='input'>  <span class='no'>nafta_evaluation</span> <span class='kw'><-</span> <span class='fu'>nafta</span>(<span class='no'>NAFTA_SOP_Appendix_D</span>)</div><div class='output co'>#> <span class='message'>The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></div><div class='output co'>#> <span class='message'>The representative half-life of the IORE model is longer than the one corresponding</span></div><div class='output co'>#> <span class='message'>to the terminal degradation rate found with the DFOP model.</span></div><div class='output co'>#> <span class='message'>The representative half-life obtained from the DFOP model may be used</span></div><div class='input'>  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>nafta_evaluation</span>)</div><div class='output co'>#> Sums of squares: +    <pre class="examples"><div class='input'>  <span class='no'>nafta_evaluation</span> <span class='kw'><-</span> <span class='fu'>nafta</span>(<span class='no'>NAFTA_SOP_Appendix_D</span>, <span class='kw'>cores</span> <span class='kw'>=</span> <span class='fl'>1</span>)</div><div class='output co'>#> <span class='warning'>Warning: Calculation of the Jacobian failed for the cost function of the untransformed model.</span> +#> <span class='warning'>No t-test results will be available</span></div><div class='output co'>#> <span class='message'>The SFO model is rejected as S_SFO is equal or higher than the critical value S_c</span></div><div class='output co'>#> <span class='message'>The representative half-life of the IORE model is longer than the one corresponding</span></div><div class='output co'>#> <span class='message'>to the terminal degradation rate found with the DFOP model.</span></div><div class='output co'>#> <span class='message'>The representative half-life obtained from the DFOP model may be used</span></div><div class='input'>  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>nafta_evaluation</span>)</div><div class='output co'>#> Sums of squares:  #>       SFO      IORE      DFOP   #> 1378.6832  615.7730  517.8836   #>  @@ -191,8 +196,8 @@  #> $IORE  #>                         Estimate Pr(>t)        Lower        Upper  #> parent_0            9.685291e+01     NA 8.752855e+01 1.061773e+02 -#> k__iore_parent_sink 8.403374e-14     NA 1.092054e-19 6.466412e-08 -#> N_parent            6.684458e+00     NA 3.538511e+00 9.830405e+00 +#> k__iore_parent_sink 8.403401e-14     NA 1.092058e-19 6.466429e-08 +#> N_parent            6.684457e+00     NA 3.538510e+00 9.830404e+00  #>   #> $DFOP  #>              Estimate       Pr(>t)        Lower        Upper @@ -204,9 +209,9 @@  #>   #> DTx values:  #>      DT50    DT90 DT50_rep -#> SFO   407    1352      407 -#> IORE  541 5192066  1562968 -#> DFOP  429    2383      841 +#> SFO   407    1350      407 +#> IORE  541 5190000  1560000 +#> DFOP  429    2380      841  #>   #> Representative half-life:  #> [1] 841.4096</div><div class='input'>  <span class='fu'><a href='https://www.rdocumentation.org/packages/graphics/topics/plot'>plot</a></span>(<span class='no'>nafta_evaluation</span>)</div><div class='img'><img src='nafta-1.png' alt='' width='700' height='433' /></div></pre> diff --git a/docs/reference/plot.nafta.html b/docs/reference/plot.nafta.html index 76da1ffa..7949d36c 100644 --- a/docs/reference/plot.nafta.html +++ b/docs/reference/plot.nafta.html @@ -6,7 +6,9 @@  <meta http-equiv="X-UA-Compatible" content="IE=edge">  <meta name="viewport" content="width=device-width, initial-scale=1.0"> -<title>Plot the results of the three models used in the NAFTA scheme — plot.nafta • mkin</title> +<title>Plot the results of the three models used in the NAFTA scheme. The plots +  are ordered with increasing complexity of the model in this function  +  (SFO, then IORE, then DFOP). — plot.nafta • mkin</title>  <!-- jquery -->  <script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> @@ -30,7 +32,9 @@ -<meta property="og:title" content="Plot the results of the three models used in the NAFTA scheme — plot.nafta" /> +<meta property="og:title" content="Plot the results of the three models used in the NAFTA scheme. The plots +  are ordered with increasing complexity of the model in this function  +  (SFO, then IORE, then DFOP). — plot.nafta" />  <meta property="og:description" content="Calls plot.mmkin." />  <meta name="twitter:card" content="summary" /> @@ -118,7 +122,9 @@  <div class="row">    <div class="col-md-9 contents">      <div class="page-header"> -    <h1>Plot the results of the three models used in the NAFTA scheme</h1> +    <h1>Plot the results of the three models used in the NAFTA scheme. The plots +  are ordered with increasing complexity of the model in this function  +  (SFO, then IORE, then DFOP).</h1>      <div class="hidden name"><code>plot.nafta.Rd</code></div>      </div> diff --git a/docs/reference/print.nafta.html b/docs/reference/print.nafta.html index ac276857..44f1f6e5 100644 --- a/docs/reference/print.nafta.html +++ b/docs/reference/print.nafta.html @@ -32,7 +32,9 @@  <meta property="og:title" content="Print nafta objects — print.nafta" /> -<meta property="og:description" content="Print nafta objects." /> +<meta property="og:description" content="Print nafta objects. The results for the three models +  are printed in the order of increasing model complexity, +  i.e. SFO, then IORE, and finally DFOP." />  <meta name="twitter:card" content="summary" /> @@ -125,7 +127,9 @@      <div class="ref-description"> -    <p>Print nafta objects.</p> +    <p>Print nafta objects. The results for the three models +  are printed in the order of increasing model complexity, +  i.e. SFO, then IORE, and finally DFOP.</p>      </div> diff --git a/docs/reference/summary.mkinfit.html b/docs/reference/summary.mkinfit.html index ca0b1c4c..6ec72f80 100644 --- a/docs/reference/summary.mkinfit.html +++ b/docs/reference/summary.mkinfit.html @@ -208,15 +208,15 @@      <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>      <pre class="examples"><div class='input'>  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='fu'><a href='mkinmod.html'>mkinmod</a></span>(<span class='kw'>parent</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>)), <span class='no'>FOCUS_2006_A</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>))</div><div class='output co'>#> mkin version used for fitting:    0.9.48.1   #> R version used for fitting:       3.5.2  -#> Date of fit:     Tue Feb 26 09:28:49 2019  -#> Date of summary: Tue Feb 26 09:28:49 2019  +#> Date of fit:     Tue Feb 26 20:24:50 2019  +#> Date of summary: Tue Feb 26 20:24:50 2019   #>   #> Equations:  #> d_parent/dt = - k_parent_sink * parent  #>   #> Model predictions using solution type analytical   #>  -#> Fitted with method Port using 35 model solutions performed in 0.085 s +#> Fitted with method Port using 35 model solutions performed in 0.084 s  #>   #> Weighting: none  #>  diff --git a/docs/reference/transform_odeparms.html b/docs/reference/transform_odeparms.html index bcfbe975..6e65f609 100644 --- a/docs/reference/transform_odeparms.html +++ b/docs/reference/transform_odeparms.html @@ -202,8 +202,8 @@ The transformation of sets of formation fractions is fragile, as it supposes  <span class='no'>fit</span> <span class='kw'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>SFO_SFO</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>fit</span>, <span class='kw'>data</span><span class='kw'>=</span><span class='fl'>FALSE</span>) <span class='co'># See transformed and backtransformed parameters</span></div><div class='output co'>#> mkin version used for fitting:    0.9.48.1   #> R version used for fitting:       3.5.2  -#> Date of fit:     Tue Feb 26 09:28:57 2019  -#> Date of summary: Tue Feb 26 09:28:57 2019  +#> Date of fit:     Tue Feb 26 20:24:58 2019  +#> Date of summary: Tue Feb 26 20:24:58 2019   #>   #> Equations:  #> d_parent/dt = - k_parent_sink * parent - k_parent_m1 * parent @@ -211,7 +211,7 @@ The transformation of sets of formation fractions is fragile, as it supposes  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 153 model solutions performed in 0.7 s +#> Fitted with method Port using 153 model solutions performed in 0.707 s  #>   #> Weighting: none  #>  @@ -278,8 +278,8 @@ The transformation of sets of formation fractions is fragile, as it supposes  </div><div class='input'><span class='no'>fit.2</span> <span class='kw'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>SFO_SFO</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>transform_rates</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>fit.2</span>, <span class='kw'>data</span><span class='kw'>=</span><span class='fl'>FALSE</span>)</div><div class='output co'>#> mkin version used for fitting:    0.9.48.1   #> R version used for fitting:       3.5.2  -#> Date of fit:     Tue Feb 26 09:28:59 2019  -#> Date of summary: Tue Feb 26 09:28:59 2019  +#> Date of fit:     Tue Feb 26 20:25:00 2019  +#> Date of summary: Tue Feb 26 20:25:00 2019   #>   #> Equations:  #> d_parent/dt = - k_parent_sink * parent - k_parent_m1 * parent @@ -287,7 +287,7 @@ The transformation of sets of formation fractions is fragile, as it supposes  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 350 model solutions performed in 1.59 s +#> Fitted with method Port using 350 model solutions performed in 1.584 s  #>   #> Weighting: none  #>  @@ -366,8 +366,8 @@ The transformation of sets of formation fractions is fragile, as it supposes  <span class='no'>fit.ff</span> <span class='kw'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>SFO_SFO.ff</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>fit.ff</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>)</div><div class='output co'>#> mkin version used for fitting:    0.9.48.1   #> R version used for fitting:       3.5.2  -#> Date of fit:     Tue Feb 26 09:29:00 2019  -#> Date of summary: Tue Feb 26 09:29:00 2019  +#> Date of fit:     Tue Feb 26 20:25:01 2019  +#> Date of summary: Tue Feb 26 20:25:01 2019   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -375,7 +375,7 @@ The transformation of sets of formation fractions is fragile, as it supposes  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 186 model solutions performed in 0.844 s +#> Fitted with method Port using 186 model solutions performed in 0.867 s  #>   #> Weighting: none  #>  @@ -450,8 +450,8 @@ The transformation of sets of formation fractions is fragile, as it supposes  <span class='no'>fit.ff.2</span> <span class='kw'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>SFO_SFO.ff.2</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>fit.ff.2</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>)</div><div class='output co'>#> mkin version used for fitting:    0.9.48.1   #> R version used for fitting:       3.5.2  -#> Date of fit:     Tue Feb 26 09:29:01 2019  -#> Date of summary: Tue Feb 26 09:29:01 2019  +#> Date of fit:     Tue Feb 26 20:25:02 2019  +#> Date of summary: Tue Feb 26 20:25:02 2019   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -459,7 +459,7 @@ The transformation of sets of formation fractions is fragile, as it supposes  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 104 model solutions performed in 0.467 s +#> Fitted with method Port using 104 model solutions performed in 0.472 s  #>   #> Weighting: none  #>   | 
