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authorJohannes Ranke <jranke@uni-bremen.de>2019-06-04 15:09:28 +0200
committerJohannes Ranke <jranke@uni-bremen.de>2019-06-04 15:09:28 +0200
commit95178837d3f91e84837628446b5fd468179af2b9 (patch)
tree8b162d5a22b28b59ca9c6bb27bf8f9dfbeaefbae /docs/reference/mkinfit.html
parent9a96391589fef9f80f9c6c4881cc48a509cb75f2 (diff)
Additional algorithm "d_c", more tests, docs
The new algorithm tries direct optimization of the likelihood, as well as a three step procedure. In this way, we consistently get the model with the highest likelihood for SFO, DFOP and HS for all 12 new test datasets.
Diffstat (limited to 'docs/reference/mkinfit.html')
-rw-r--r--docs/reference/mkinfit.html205
1 files changed, 121 insertions, 84 deletions
diff --git a/docs/reference/mkinfit.html b/docs/reference/mkinfit.html
index bfca44fc..8cabcb21 100644
--- a/docs/reference/mkinfit.html
+++ b/docs/reference/mkinfit.html
@@ -71,7 +71,7 @@ Per default, parameters in the kinetic models are internally transformed in
</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">0.9.49.4</span>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.9.49.5</span>
</span>
</div>
@@ -163,6 +163,8 @@ Per default, parameters in the kinetic models are internally transformed in
<span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>,
<span class='kw'>atol</span> <span class='kw'>=</span> <span class='fl'>1e-8</span>, <span class='kw'>rtol</span> <span class='kw'>=</span> <span class='fl'>1e-10</span>, <span class='kw'>n.outtimes</span> <span class='kw'>=</span> <span class='fl'>100</span>,
<span class='kw'>error_model</span> <span class='kw'>=</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/c'>c</a></span>(<span class='st'>"const"</span>, <span class='st'>"obs"</span>, <span class='st'>"tc"</span>),
+ <span class='kw'>error_model_algorithm</span> <span class='kw'>=</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/c'>c</a></span>(<span class='st'>"d_3"</span>, <span class='st'>"direct"</span>, <span class='st'>"twostep"</span>, <span class='st'>"threestep"</span>, <span class='st'>"fourstep"</span>, <span class='st'>"IRLS"</span>),
+ <span class='kw'>reweight.tol</span> <span class='kw'>=</span> <span class='fl'>1e-8</span>, <span class='kw'>reweight.max.iter</span> <span class='kw'>=</span> <span class='fl'>10</span>,
<span class='kw'>trace_parms</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>, <span class='no'>...</span>)</pre>
<h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2>
@@ -322,6 +324,41 @@ Per default, parameters in the kinetic models are internally transformed in
distribution as assumed by this method.</p></td>
</tr>
<tr>
+ <th>error_model_algorithm</th>
+ <td><p>If the error model is "const", the error model algorithm is ignored,
+ because no special algorithm is needed and unweighted (also known as
+ ordinary) least squares fitting can be applied.</p>
+<p>The default algorithm "d_3" will directly minimize the negative
+ log-likelihood and - independently - also use the three step algorithm
+ described below. The fit with the higher likelihood is returned.</p>
+<p>The algorithm "direct" will directly minimize the negative
+ log-likelihood.</p>
+<p>The algorithm "twostep" will minimize the negative log-likelihood
+ after an initial unweighted leas squares optimisation step.</p>
+<p>The algorithm "threestep" starts with unweighted least squares,
+ then optimizes only the error model using the degradation model
+ parameters found, and then minimizes the negative log-likelihood
+ with free degradation and error model parameters.</p>
+<p>The algorithm "fourstep" starts with unweighted least squares,
+ then optimizes only the error model using the degradation model
+ parameters found, then optimizes the degradation model again
+ with fixed error model parameters, and finally minimizes the negative
+ log-likelihood with free degradation and error model parameters.</p>
+<p>The algorithm "IRLS" starts with unweighted least squares,
+ and then iterates optimization of the error model parameters and subsequent
+ optimization of the degradation model using those error model parameters,
+ until the error model parameters converge.</p></td>
+ </tr>
+ <tr>
+ <th>reweight.tol</th>
+ <td><p>Tolerance for the convergence criterion calculated from the error model
+ parameters in IRLS fits.</p></td>
+ </tr>
+ <tr>
+ <th>reweight.max.iter</th>
+ <td><p>Maximum number of iterations in IRLS fits.</p></td>
+ </tr>
+ <tr>
<th>trace_parms</th>
<td><p>Should a trace of the parameter values be listed?</p></td>
</tr>
@@ -360,17 +397,17 @@ Per default, parameters in the kinetic models are internally transformed in
<h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
<pre class="examples"><div class='input'><span class='co'># Use shorthand notation for parent only degradation</span>
<span class='no'>fit</span> <span class='kw'>&lt;-</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'>#&gt; mkin version used for fitting: 0.9.49.4
+<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'>#&gt; mkin version used for fitting: 0.9.49.5
#&gt; R version used for fitting: 3.6.0
-#&gt; Date of fit: Wed May 8 20:50:50 2019
-#&gt; Date of summary: Wed May 8 20:50:50 2019
+#&gt; Date of fit: Tue Jun 4 15:01:15 2019
+#&gt; Date of summary: Tue Jun 4 15:01:15 2019
#&gt;
#&gt; Equations:
#&gt; d_parent/dt = - (alpha/beta) * 1/((time/beta) + 1) * parent
#&gt;
#&gt; Model predictions using solution type analytical
#&gt;
-#&gt; Fitted using 222 model solutions performed in 0.456 s
+#&gt; Fitted using 222 model solutions performed in 0.461 s
#&gt;
#&gt; Error model:
#&gt; Constant variance
@@ -443,7 +480,7 @@ Per default, parameters in the kinetic models are internally transformed in
<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'>#&gt; <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'>&lt;-</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'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='output co'>#&gt; User System verstrichen
-#&gt; 1.488 0.000 1.488 </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'>#&gt; NULL</div><div class='input'><span class='fu'><a href='endpoints.html'>endpoints</a></span>(<span class='no'>fit</span>)</div><div class='output co'>#&gt; $ff
+#&gt; 1.521 0.000 1.526 </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'>#&gt; NULL</div><div class='input'><span class='fu'><a href='endpoints.html'>endpoints</a></span>(<span class='no'>fit</span>)</div><div class='output co'>#&gt; $ff
#&gt; parent_sink parent_m1 m1_sink
#&gt; 0.485524 0.514476 1.000000
#&gt;
@@ -515,7 +552,7 @@ Per default, parameters in the kinetic models are internally transformed in
#&gt; Sum of squared residuals at call 126: 371.2134
#&gt; Sum of squared residuals at call 135: 371.2134
#&gt; Negative log-likelihood at call 145: 97.22429</div><div class='output co'>#&gt; <span class='message'>Optimisation successfully terminated.</span></div><div class='output co'>#&gt; User System verstrichen
-#&gt; 1.086 0.000 1.087 </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'>#&gt; NULL</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'>#&gt; $ff
+#&gt; 1.093 0.000 1.093 </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'>#&gt; NULL</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'>#&gt; $ff
#&gt; parent_sink parent_m1 m1_sink
#&gt; 0.485524 0.514476 1.000000
#&gt;
@@ -545,10 +582,10 @@ Per default, parameters in the kinetic models are internally transformed in
<span class='no'>fit.SFORB_SFO</span> <span class='kw'>&lt;-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFORB_SFO</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>parms.ini</span> <span class='kw'>=</span> <span class='no'>fit.SFORB</span>$<span class='no'>bparms.ode</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'>
</div><div class='input'><span class='co'># Weighted fits, including IRLS</span>
<span class='no'>SFO_SFO.ff</span> <span class='kw'>&lt;-</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='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'>use_of_ff</span> <span class='kw'>=</span> <span class='st'>"max"</span>)</div><div class='output co'>#&gt; <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'>&lt;-</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>)</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'><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'>#&gt; mkin version used for fitting: 0.9.49.4
+ <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'>#&gt; <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'>&lt;-</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>)</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'><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'>#&gt; mkin version used for fitting: 0.9.49.5
#&gt; R version used for fitting: 3.6.0
-#&gt; Date of fit: Wed May 8 20:51:06 2019
-#&gt; Date of summary: Wed May 8 20:51:06 2019
+#&gt; Date of fit: Tue Jun 4 15:01:31 2019
+#&gt; Date of summary: Tue Jun 4 15:01:31 2019
#&gt;
#&gt; Equations:
#&gt; d_parent/dt = - k_parent * parent
@@ -556,7 +593,7 @@ Per default, parameters in the kinetic models are internally transformed in
#&gt;
#&gt; Model predictions using solution type deSolve
#&gt;
-#&gt; Fitted using 421 model solutions performed in 1.082 s
+#&gt; Fitted using 421 model solutions performed in 1.096 s
#&gt;
#&gt; Error model:
#&gt; Constant variance
@@ -663,10 +700,10 @@ Per default, parameters in the kinetic models are internally transformed in
#&gt; 100 m1 31.04 31.98163 -9.416e-01
#&gt; 100 m1 33.13 31.98163 1.148e+00
#&gt; 120 m1 25.15 28.78984 -3.640e+00
-#&gt; 120 m1 33.31 28.78984 4.520e+00</div><div class='input'><span class='no'>f.obs</span> <span class='kw'>&lt;-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFO_SFO.ff</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>error_model</span> <span class='kw'>=</span> <span class='st'>"obs"</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>f.obs</span>)</div><div class='output co'>#&gt; mkin version used for fitting: 0.9.49.4
+#&gt; 120 m1 33.31 28.78984 4.520e+00</div><div class='input'><span class='no'>f.obs</span> <span class='kw'>&lt;-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFO_SFO.ff</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>error_model</span> <span class='kw'>=</span> <span class='st'>"obs"</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>f.obs</span>)</div><div class='output co'>#&gt; mkin version used for fitting: 0.9.49.5
#&gt; R version used for fitting: 3.6.0
-#&gt; Date of fit: Wed May 8 20:51:08 2019
-#&gt; Date of summary: Wed May 8 20:51:08 2019
+#&gt; Date of fit: Tue Jun 4 15:01:34 2019
+#&gt; Date of summary: Tue Jun 4 15:01:34 2019
#&gt;
#&gt; Equations:
#&gt; d_parent/dt = - k_parent * parent
@@ -674,19 +711,19 @@ Per default, parameters in the kinetic models are internally transformed in
#&gt;
#&gt; Model predictions using solution type deSolve
#&gt;
-#&gt; Fitted using 758 model solutions performed in 1.971 s
+#&gt; Fitted using 979 model solutions performed in 2.603 s
#&gt;
#&gt; Error model:
#&gt; Variance unique to each observed variable
#&gt;
#&gt; Starting values for parameters to be optimised:
-#&gt; value type
-#&gt; parent_0 100.7500 state
-#&gt; k_parent 0.1000 deparm
-#&gt; k_m1 0.1001 deparm
-#&gt; f_parent_to_m1 0.5000 deparm
-#&gt; sigma_parent 3.0000 error
-#&gt; sigma_m1 3.0000 error
+#&gt; value type
+#&gt; parent_0 100.750000 state
+#&gt; k_parent 0.100000 deparm
+#&gt; k_m1 0.100100 deparm
+#&gt; f_parent_to_m1 0.500000 deparm
+#&gt; sigma_parent 3.398909 error
+#&gt; sigma_m1 2.857157 error
#&gt;
#&gt; Starting values for the transformed parameters actually optimised:
#&gt; value lower upper
@@ -694,8 +731,8 @@ Per default, parameters in the kinetic models are internally transformed in
#&gt; log_k_parent -2.302585 -Inf Inf
#&gt; log_k_m1 -2.301586 -Inf Inf
#&gt; f_parent_ilr_1 0.000000 -Inf Inf
-#&gt; sigma_parent 3.000000 0 Inf
-#&gt; sigma_m1 3.000000 0 Inf
+#&gt; sigma_parent 3.398909 0 Inf
+#&gt; sigma_m1 2.857157 0 Inf
#&gt;
#&gt; Fixed parameter values:
#&gt; value type
@@ -715,14 +752,14 @@ Per default, parameters in the kinetic models are internally transformed in
#&gt; parent_0 1.00000 0.51078 -0.19133 -0.59997 0.035670
#&gt; log_k_parent 0.51078 1.00000 -0.37458 -0.59239 0.069833
#&gt; log_k_m1 -0.19133 -0.37458 1.00000 0.74398 -0.026158
-#&gt; f_parent_ilr_1 -0.59997 -0.59239 0.74398 1.00000 -0.041368
+#&gt; f_parent_ilr_1 -0.59997 -0.59239 0.74398 1.00000 -0.041369
#&gt; sigma_parent 0.03567 0.06983 -0.02616 -0.04137 1.000000
-#&gt; sigma_m1 -0.03385 -0.06627 0.02482 0.03925 -0.004628
+#&gt; sigma_m1 -0.03385 -0.06627 0.02482 0.03926 -0.004628
#&gt; sigma_m1
#&gt; parent_0 -0.033847
#&gt; log_k_parent -0.066265
-#&gt; log_k_m1 0.024821
-#&gt; f_parent_ilr_1 0.039255
+#&gt; log_k_m1 0.024823
+#&gt; f_parent_ilr_1 0.039256
#&gt; sigma_parent -0.004628
#&gt; sigma_m1 1.000000
#&gt;
@@ -786,17 +823,17 @@ Per default, parameters in the kinetic models are internally transformed in
#&gt; 21 m1 46.44 41.65115 4.789e+00
#&gt; 35 m1 41.22 43.29465 -2.075e+00
#&gt; 35 m1 37.95 43.29465 -5.345e+00
-#&gt; 50 m1 41.19 41.19948 -9.481e-03
+#&gt; 50 m1 41.19 41.19948 -9.479e-03
#&gt; 50 m1 40.01 41.19948 -1.189e+00
-#&gt; 75 m1 40.09 36.44036 3.650e+00
-#&gt; 75 m1 33.85 36.44036 -2.590e+00
-#&gt; 100 m1 31.04 31.98774 -9.477e-01
-#&gt; 100 m1 33.13 31.98774 1.142e+00
-#&gt; 120 m1 25.15 28.80430 -3.654e+00
-#&gt; 120 m1 33.31 28.80430 4.506e+00</div><div class='input'><span class='no'>f.tc</span> <span class='kw'>&lt;-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFO_SFO.ff</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>error_model</span> <span class='kw'>=</span> <span class='st'>"tc"</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>f.tc</span>)</div><div class='output co'>#&gt; mkin version used for fitting: 0.9.49.4
+#&gt; 75 m1 40.09 36.44035 3.650e+00
+#&gt; 75 m1 33.85 36.44035 -2.590e+00
+#&gt; 100 m1 31.04 31.98773 -9.477e-01
+#&gt; 100 m1 33.13 31.98773 1.142e+00
+#&gt; 120 m1 25.15 28.80429 -3.654e+00
+#&gt; 120 m1 33.31 28.80429 4.506e+00</div><div class='input'><span class='no'>f.tc</span> <span class='kw'>&lt;-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFO_SFO.ff</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>error_model</span> <span class='kw'>=</span> <span class='st'>"tc"</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/summary'>summary</a></span>(<span class='no'>f.tc</span>)</div><div class='output co'>#&gt; mkin version used for fitting: 0.9.49.5
#&gt; R version used for fitting: 3.6.0
-#&gt; Date of fit: Wed May 8 20:51:11 2019
-#&gt; Date of summary: Wed May 8 20:51:11 2019
+#&gt; Date of fit: Tue Jun 4 15:01:43 2019
+#&gt; Date of summary: Tue Jun 4 15:01:43 2019
#&gt;
#&gt; Equations:
#&gt; d_parent/dt = - k_parent * parent
@@ -804,28 +841,28 @@ Per default, parameters in the kinetic models are internally transformed in
#&gt;
#&gt; Model predictions using solution type deSolve
#&gt;
-#&gt; Fitted using 821 model solutions performed in 3.29 s
+#&gt; Fitted using 2289 model solutions performed in 9.499 s
#&gt;
#&gt; Error model:
#&gt; Two-component variance function
#&gt;
#&gt; Starting values for parameters to be optimised:
-#&gt; value type
-#&gt; parent_0 100.7500 state
-#&gt; k_parent 0.1000 deparm
-#&gt; k_m1 0.1001 deparm
-#&gt; f_parent_to_m1 0.5000 deparm
-#&gt; sigma_low 0.1000 error
-#&gt; rsd_high 0.1000 error
+#&gt; value type
+#&gt; parent_0 1.007500e+02 state
+#&gt; k_parent 1.000000e-01 deparm
+#&gt; k_m1 1.001000e-01 deparm
+#&gt; f_parent_to_m1 5.000000e-01 deparm
+#&gt; sigma_low 5.641148e-03 error
+#&gt; rsd_high 8.430766e-02 error
#&gt;
#&gt; Starting values for the transformed parameters actually optimised:
-#&gt; value lower upper
-#&gt; parent_0 100.750000 -Inf Inf
-#&gt; log_k_parent -2.302585 -Inf Inf
-#&gt; log_k_m1 -2.301586 -Inf Inf
-#&gt; f_parent_ilr_1 0.000000 -Inf Inf
-#&gt; sigma_low 0.100000 0 Inf
-#&gt; rsd_high 0.100000 0 Inf
+#&gt; value lower upper
+#&gt; parent_0 100.750000000 -Inf Inf
+#&gt; log_k_parent -2.302585093 -Inf Inf
+#&gt; log_k_m1 -2.301585593 -Inf Inf
+#&gt; f_parent_ilr_1 0.000000000 -Inf Inf
+#&gt; sigma_low 0.005641148 0 Inf
+#&gt; rsd_high 0.084307660 0 Inf
#&gt;
#&gt; Fixed parameter values:
#&gt; value type
@@ -856,7 +893,7 @@ Per default, parameters in the kinetic models are internally transformed in
#&gt; Estimate t value Pr(&gt;t) Lower Upper
#&gt; parent_0 1.007e+02 38.4300 1.180e-28 95.400000 1.061e+02
#&gt; k_parent 1.006e-01 112.8000 1.718e-43 0.098760 1.024e-01
-#&gt; k_m1 5.167e-03 10.9500 1.172e-12 0.004290 6.223e-03
+#&gt; k_m1 5.167e-03 10.9500 1.171e-12 0.004290 6.223e-03
#&gt; f_parent_to_m1 5.084e-01 26.0100 2.146e-23 0.468600 5.481e-01
#&gt; sigma_low 3.050e-03 0.6314 2.661e-01 -0.006786 1.289e-02
#&gt; rsd_high 7.928e-02 8.4170 6.418e-10 0.060100 9.847e-02
@@ -879,18 +916,18 @@ Per default, parameters in the kinetic models are internally transformed in
#&gt;
#&gt; Data:
#&gt; time variable observed predicted residual
-#&gt; 0 parent 99.46 100.73433 -1.274329
-#&gt; 0 parent 102.04 100.73433 1.305671
-#&gt; 1 parent 93.50 91.09750 2.402495
-#&gt; 1 parent 92.50 91.09750 1.402495
-#&gt; 3 parent 63.23 74.50140 -11.271403
-#&gt; 3 parent 68.99 74.50140 -5.511403
-#&gt; 7 parent 52.32 49.82880 2.491205
-#&gt; 7 parent 55.13 49.82880 5.301205
-#&gt; 14 parent 27.27 24.64809 2.621909
-#&gt; 14 parent 26.64 24.64809 1.991909
-#&gt; 21 parent 11.50 12.19231 -0.692315
-#&gt; 21 parent 11.64 12.19231 -0.552315
+#&gt; 0 parent 99.46 100.73434 -1.274339
+#&gt; 0 parent 102.04 100.73434 1.305661
+#&gt; 1 parent 93.50 91.09751 2.402486
+#&gt; 1 parent 92.50 91.09751 1.402486
+#&gt; 3 parent 63.23 74.50141 -11.271410
+#&gt; 3 parent 68.99 74.50141 -5.511410
+#&gt; 7 parent 52.32 49.82880 2.491201
+#&gt; 7 parent 55.13 49.82880 5.301201
+#&gt; 14 parent 27.27 24.64809 2.621908
+#&gt; 14 parent 26.64 24.64809 1.991908
+#&gt; 21 parent 11.50 12.19232 -0.692315
+#&gt; 21 parent 11.64 12.19232 -0.552315
#&gt; 35 parent 2.85 2.98327 -0.133266
#&gt; 35 parent 2.91 2.98327 -0.073266
#&gt; 50 parent 0.69 0.66013 0.029874
@@ -899,24 +936,24 @@ Per default, parameters in the kinetic models are internally transformed in
#&gt; 75 parent 0.06 0.05344 0.006562
#&gt; 1 m1 4.84 4.88645 -0.046451
#&gt; 1 m1 5.64 4.88645 0.753549
-#&gt; 3 m1 12.91 13.22867 -0.318668
-#&gt; 3 m1 12.96 13.22867 -0.268668
-#&gt; 7 m1 22.97 25.36416 -2.394164
-#&gt; 7 m1 24.47 25.36416 -0.894164
-#&gt; 14 m1 41.69 37.00974 4.680265
-#&gt; 14 m1 33.21 37.00974 -3.799735
-#&gt; 21 m1 44.37 41.90133 2.468670
-#&gt; 21 m1 46.44 41.90133 4.538670
-#&gt; 35 m1 41.22 43.45691 -2.236914
-#&gt; 35 m1 37.95 43.45691 -5.506914
-#&gt; 50 m1 41.19 41.34199 -0.151988
-#&gt; 50 m1 40.01 41.34199 -1.331988
-#&gt; 75 m1 40.09 36.61471 3.475290
-#&gt; 75 m1 33.85 36.61471 -2.764710
-#&gt; 100 m1 31.04 32.20083 -1.160830
-#&gt; 100 m1 33.13 32.20083 0.929170
-#&gt; 120 m1 25.15 29.04131 -3.891312
-#&gt; 120 m1 33.31 29.04131 4.268688</div><div class='input'>
+#&gt; 3 m1 12.91 13.22867 -0.318669
+#&gt; 3 m1 12.96 13.22867 -0.268669
+#&gt; 7 m1 22.97 25.36417 -2.394166
+#&gt; 7 m1 24.47 25.36417 -0.894166
+#&gt; 14 m1 41.69 37.00974 4.680263
+#&gt; 14 m1 33.21 37.00974 -3.799737
+#&gt; 21 m1 44.37 41.90133 2.468669
+#&gt; 21 m1 46.44 41.90133 4.538669
+#&gt; 35 m1 41.22 43.45691 -2.236913
+#&gt; 35 m1 37.95 43.45691 -5.506913
+#&gt; 50 m1 41.19 41.34199 -0.151985
+#&gt; 50 m1 40.01 41.34199 -1.331985
+#&gt; 75 m1 40.09 36.61471 3.475295
+#&gt; 75 m1 33.85 36.61471 -2.764705
+#&gt; 100 m1 31.04 32.20082 -1.160823
+#&gt; 100 m1 33.13 32.20082 0.929177
+#&gt; 120 m1 25.15 29.04130 -3.891304
+#&gt; 120 m1 33.31 29.04130 4.268696</div><div class='input'>
</div></pre>
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@@ -946,7 +983,7 @@ Per default, parameters in the kinetic models are internally transformed in
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