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Diffstat (limited to 'docs/articles/prebuilt/2022_cyan_pathway.html')
-rw-r--r--docs/articles/prebuilt/2022_cyan_pathway.html3262
1 files changed, 1483 insertions, 1779 deletions
diff --git a/docs/articles/prebuilt/2022_cyan_pathway.html b/docs/articles/prebuilt/2022_cyan_pathway.html
index cd63fa3c..c22c6735 100644
--- a/docs/articles/prebuilt/2022_cyan_pathway.html
+++ b/docs/articles/prebuilt/2022_cyan_pathway.html
@@ -33,7 +33,7 @@
</button>
<span class="navbar-brand">
<a class="navbar-link" href="../../index.html">mkin</a>
- <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.3.1</span>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">1.2.4</span>
</span>
</div>
@@ -135,7 +135,7 @@ residue data on cyantraniliprole</h1>
Ranke</h4>
<h4 data-toc-skip class="date">Last change on 20 April 2023,
-last compiled on 20 April 2023</h4>
+last compiled on 19 Mai 2023</h4>
<small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/vignettes/prebuilt/2022_cyan_pathway.rmd" class="external-link"><code>vignettes/prebuilt/2022_cyan_pathway.rmd</code></a></small>
<div class="hidden name"><code>2022_cyan_pathway.rmd</code></div>
@@ -155,7 +155,7 @@ be fitted with the mkin package.</p>
173340 (Application of nonlinear hierarchical models to the kinetic
evaluation of chemical degradation data) of the German Environment
Agency carried out in 2022 and 2023.</p>
-<p>The mkin package is used in version 1.2.3 which is currently under
+<p>The mkin package is used in version 1.2.4 which is currently under
development. The newly introduced functionality that is used here is a
simplification of excluding random effects for a set of fits based on a
related set of fits with a reduced model, and the documentation of the
@@ -1356,9 +1356,9 @@ when the two-component error model is used.</p>
<tr class="odd">
<td align="left">SFORB tc</td>
<td align="right">10</td>
-<td align="right">700.1</td>
-<td align="right">696.2</td>
-<td align="right">-340.1</td>
+<td align="right">700.0</td>
+<td align="right">696.1</td>
+<td align="right">-340.0</td>
</tr>
<tr class="even">
<td align="left">HS tc</td>
@@ -1447,7 +1447,7 @@ pathway fits are performed for all datasets.</p>
<td align="left">OK</td>
<td align="left">OK</td>
<td align="left">OK</td>
-<td align="left">OK</td>
+<td align="left">C</td>
<td align="left">OK</td>
</tr>
<tr class="even">
@@ -1511,7 +1511,7 @@ pathway fits are performed for all datasets.</p>
<td align="left">OK</td>
<td align="left">OK</td>
<td align="left">OK</td>
-<td align="left">C</td>
+<td align="left">OK</td>
</tr>
<tr class="odd">
<td align="left">dfop_path_1</td>
@@ -1524,7 +1524,7 @@ pathway fits are performed for all datasets.</p>
<tr class="even">
<td align="left">sforb_path_1</td>
<td align="left">OK</td>
-<td align="left">C</td>
+<td align="left">OK</td>
<td align="left">OK</td>
<td align="left">OK</td>
<td align="left">OK</td>
@@ -1535,7 +1535,7 @@ pathway fits are performed for all datasets.</p>
<td align="left">OK</td>
<td align="left">C</td>
<td align="left">OK</td>
-<td align="left">OK</td>
+<td align="left">C</td>
</tr>
</tbody>
</table>
@@ -1564,7 +1564,7 @@ which is currently under development.</p>
<tbody>
<tr class="odd">
<td align="left">sfo_path_1</td>
-<td align="left">Fth, FO</td>
+<td align="left">FO</td>
<td align="left">Fth, FO</td>
</tr>
<tr class="even">
@@ -1584,8 +1584,8 @@ which is currently under development.</p>
</tr>
<tr class="odd">
<td align="left">hs_path_1</td>
-<td align="left">Fth, FO</td>
-<td align="left">Fth, FO</td>
+<td align="left">FO</td>
+<td align="left">E</td>
</tr>
</tbody>
</table>
@@ -1634,7 +1634,7 @@ sd(f_JCZ38_qlogis)</td>
<tr class="odd">
<td align="left">hs_path_1</td>
<td align="left">NA</td>
-<td align="left">NA</td>
+<td align="left">E</td>
</tr>
</tbody>
</table>
@@ -1654,30 +1654,30 @@ or SFORB for the parent compound provide the best fit.</p>
<tr class="odd">
<td align="left">sfo_path_1 const</td>
<td align="right">16</td>
-<td align="right">2692.8</td>
-<td align="right">2686.6</td>
-<td align="right">-1330.4</td>
+<td align="right">2693.0</td>
+<td align="right">2686.8</td>
+<td align="right">-1330.5</td>
</tr>
<tr class="even">
<td align="left">sfo_path_1 tc</td>
<td align="right">17</td>
-<td align="right">2657.7</td>
-<td align="right">2651.1</td>
-<td align="right">-1311.9</td>
+<td align="right">2657.6</td>
+<td align="right">2651.0</td>
+<td align="right">-1311.8</td>
</tr>
<tr class="odd">
<td align="left">fomc_path_1 const</td>
<td align="right">18</td>
-<td align="right">2427.8</td>
-<td align="right">2420.8</td>
-<td align="right">-1195.9</td>
+<td align="right">2427.9</td>
+<td align="right">2420.9</td>
+<td align="right">-1196.0</td>
</tr>
<tr class="even">
<td align="left">fomc_path_1 tc</td>
<td align="right">19</td>
-<td align="right">2423.4</td>
-<td align="right">2416.0</td>
-<td align="right">-1192.7</td>
+<td align="right">2423.6</td>
+<td align="right">2416.2</td>
+<td align="right">-1192.8</td>
</tr>
<tr class="odd">
<td align="left">dfop_path_1 const</td>
@@ -1696,30 +1696,23 @@ or SFORB for the parent compound provide the best fit.</p>
<tr class="odd">
<td align="left">hs_path_1 const</td>
<td align="right">20</td>
-<td align="right">2427.3</td>
-<td align="right">2419.5</td>
-<td align="right">-1193.7</td>
+<td align="right">2427.2</td>
+<td align="right">2419.4</td>
+<td align="right">-1193.6</td>
</tr>
<tr class="even">
<td align="left">dfop_path_1 tc</td>
<td align="right">20</td>
<td align="right">2398.0</td>
-<td align="right">2390.2</td>
+<td align="right">2390.1</td>
<td align="right">-1179.0</td>
</tr>
<tr class="odd">
<td align="left">sforb_path_1 tc</td>
<td align="right">20</td>
-<td align="right">2399.8</td>
-<td align="right">2392.0</td>
-<td align="right">-1179.9</td>
-</tr>
-<tr class="even">
-<td align="left">hs_path_1 tc</td>
-<td align="right">21</td>
-<td align="right">2422.3</td>
-<td align="right">2414.1</td>
-<td align="right">-1190.2</td>
+<td align="right">2399.9</td>
+<td align="right">2392.1</td>
+<td align="right">-1180.0</td>
</tr>
</tbody>
</table>
@@ -1827,7 +1820,7 @@ alternative pathway fits.</p>
<td align="left">OK</td>
<td align="left">OK</td>
<td align="left">OK</td>
-<td align="left">C</td>
+<td align="left">OK</td>
<td align="left">OK</td>
</tr>
</tbody>
@@ -1850,7 +1843,7 @@ the fits to the Sassafras soil data.</p>
<tr class="odd">
<td align="left">fomc_path_2</td>
<td align="left">OK</td>
-<td align="left">C</td>
+<td align="left">OK</td>
<td align="left">OK</td>
<td align="left">C</td>
<td align="left">OK</td>
@@ -1858,7 +1851,7 @@ the fits to the Sassafras soil data.</p>
<tr class="even">
<td align="left">dfop_path_2</td>
<td align="left">OK</td>
-<td align="left">OK</td>
+<td align="left">C</td>
<td align="left">OK</td>
<td align="left">C</td>
<td align="left">OK</td>
@@ -1868,7 +1861,7 @@ the fits to the Sassafras soil data.</p>
<td align="left">OK</td>
<td align="left">OK</td>
<td align="left">OK</td>
-<td align="left">OK</td>
+<td align="left">C</td>
<td align="left">OK</td>
</tr>
</tbody>
@@ -1891,8 +1884,8 @@ parent and the Sassafras dataset.</p>
<tbody>
<tr class="odd">
<td align="left">fomc_path_2</td>
+<td align="left">E</td>
<td align="left">OK</td>
-<td align="left">FO</td>
</tr>
<tr class="even">
<td align="left">dfop_path_2</td>
@@ -1924,8 +1917,8 @@ successfully.</p>
<tbody>
<tr class="odd">
<td align="left">fomc_path_2</td>
-<td align="left">sd(f_JCZ38_qlogis), sd(f_JSE76_qlogis)</td>
-<td align="left">NA</td>
+<td align="left">E</td>
+<td align="left">sd(f_JSE76_qlogis)</td>
</tr>
<tr class="even">
<td align="left">dfop_path_2</td>
@@ -1954,46 +1947,39 @@ JCZ38 are ill-defined.</p>
</tr></thead>
<tbody>
<tr class="odd">
-<td align="left">fomc_path_2 const</td>
-<td align="right">20</td>
-<td align="right">2308.3</td>
-<td align="right">2300.5</td>
-<td align="right">-1134.2</td>
-</tr>
-<tr class="even">
<td align="left">fomc_path_2 tc</td>
<td align="right">21</td>
-<td align="right">2248.3</td>
-<td align="right">2240.1</td>
-<td align="right">-1103.2</td>
+<td align="right">2249.0</td>
+<td align="right">2240.8</td>
+<td align="right">-1103.5</td>
</tr>
-<tr class="odd">
+<tr class="even">
<td align="left">dfop_path_2 const</td>
<td align="right">22</td>
-<td align="right">2289.6</td>
-<td align="right">2281.0</td>
-<td align="right">-1122.8</td>
+<td align="right">2288.4</td>
+<td align="right">2279.8</td>
+<td align="right">-1122.2</td>
</tr>
-<tr class="even">
+<tr class="odd">
<td align="left">sforb_path_2 const</td>
<td align="right">22</td>
-<td align="right">2284.1</td>
-<td align="right">2275.5</td>
-<td align="right">-1120.0</td>
+<td align="right">2283.3</td>
+<td align="right">2274.7</td>
+<td align="right">-1119.7</td>
</tr>
-<tr class="odd">
+<tr class="even">
<td align="left">dfop_path_2 tc</td>
<td align="right">22</td>
<td align="right">2234.4</td>
<td align="right">2225.8</td>
<td align="right">-1095.2</td>
</tr>
-<tr class="even">
+<tr class="odd">
<td align="left">sforb_path_2 tc</td>
<td align="right">22</td>
-<td align="right">2240.4</td>
-<td align="right">2231.8</td>
-<td align="right">-1098.2</td>
+<td align="right">2239.7</td>
+<td align="right">2231.1</td>
+<td align="right">-1097.9</td>
</tr>
</tbody>
</table>
@@ -2120,37 +2106,37 @@ confidence intervals for the optimised parameters are available.</p>
<tr class="odd">
<td align="left">fomc_path_2 tc</td>
<td align="right">19</td>
-<td align="right">2250.9</td>
-<td align="right">2243.5</td>
-<td align="right">-1106.5</td>
+<td align="right">2249.1</td>
+<td align="right">2241.6</td>
+<td align="right">-1105.5</td>
</tr>
<tr class="even">
<td align="left">dfop_path_2 const</td>
<td align="right">20</td>
-<td align="right">2281.7</td>
-<td align="right">2273.9</td>
-<td align="right">-1120.8</td>
+<td align="right">2282.2</td>
+<td align="right">2274.4</td>
+<td align="right">-1121.1</td>
</tr>
<tr class="odd">
<td align="left">sforb_path_2 const</td>
<td align="right">20</td>
-<td align="right">2279.5</td>
-<td align="right">2271.7</td>
-<td align="right">-1119.7</td>
+<td align="right">2279.7</td>
+<td align="right">2271.9</td>
+<td align="right">-1119.9</td>
</tr>
<tr class="even">
<td align="left">dfop_path_2 tc</td>
<td align="right">20</td>
-<td align="right">2231.5</td>
-<td align="right">2223.7</td>
-<td align="right">-1095.8</td>
+<td align="right">2237.3</td>
+<td align="right">2229.5</td>
+<td align="right">-1098.6</td>
</tr>
<tr class="odd">
<td align="left">sforb_path_2 tc</td>
<td align="right">20</td>
-<td align="right">2235.7</td>
-<td align="right">2227.9</td>
-<td align="right">-1097.9</td>
+<td align="right">2241.3</td>
+<td align="right">2233.5</td>
+<td align="right">-1100.7</td>
</tr>
</tbody>
</table>
@@ -2219,10 +2205,10 @@ Hierarchical SFO path 1 fit with constant variance
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 07:44:55 2023
-Date of summary: Thu Apr 20 20:01:30 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:27:54 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan/dt = - k_cyan * cyan
@@ -2235,7 +2221,7 @@ Data:
Model predictions using solution type deSolve
-Fitted in 431.793 s
+Fitted in 422.743 s
Using 300, 100 iterations and 10 chains
Variance model: Constant variance
@@ -2244,7 +2230,7 @@ Starting values for degradation parameters:
cyan_0 log_k_cyan log_k_JCZ38 log_k_J9Z38 log_k_JSE76
95.3304 -3.8459 -3.1305 -5.0678 -5.3196
f_cyan_ilr_1 f_cyan_ilr_2 f_JCZ38_qlogis
- 0.8158 22.5404 10.4289
+ 0.8158 23.5335 11.8774
Fixed degradation parameter values:
None
@@ -2266,8 +2252,8 @@ log_k_JCZ38 0.0000 0.000 0.00
log_k_J9Z38 0.0000 0.000 0.00
log_k_JSE76 0.0000 0.000 0.00
f_cyan_ilr_1 0.7714 0.000 0.00
-f_cyan_ilr_2 0.0000 8.684 0.00
-f_JCZ38_qlogis 0.0000 0.000 13.48
+f_cyan_ilr_2 0.0000 9.247 0.00
+f_JCZ38_qlogis 0.0000 0.000 16.61
Starting values for error model parameters:
a.1
@@ -2277,68 +2263,68 @@ Results:
Likelihood computed by importance sampling
AIC BIC logLik
- 2693 2687 -1330
+ 2693 2687 -1331
Optimised parameters:
- est. lower upper
-cyan_0 95.0946 NA NA
-log_k_cyan -3.8544 NA NA
-log_k_JCZ38 -3.0402 NA NA
-log_k_J9Z38 -5.0109 NA NA
-log_k_JSE76 -5.2857 NA NA
-f_cyan_ilr_1 0.8069 NA NA
-f_cyan_ilr_2 16.6623 NA NA
-f_JCZ38_qlogis 1.3602 NA NA
-a.1 4.8326 NA NA
-SD.log_k_cyan 0.5842 NA NA
-SD.log_k_JCZ38 1.2680 NA NA
-SD.log_k_J9Z38 0.3626 NA NA
-SD.log_k_JSE76 0.5244 NA NA
-SD.f_cyan_ilr_1 0.2752 NA NA
-SD.f_cyan_ilr_2 2.3556 NA NA
-SD.f_JCZ38_qlogis 0.2400 NA NA
+ est. lower upper
+cyan_0 95.1279 9.354e+01 9.671e+01
+log_k_cyan -3.8527 -4.367e+00 -3.338e+00
+log_k_JCZ38 -3.0381 -4.187e+00 -1.889e+00
+log_k_J9Z38 -5.0095 -5.623e+00 -4.396e+00
+log_k_JSE76 -5.3357 -6.025e+00 -4.646e+00
+f_cyan_ilr_1 0.8050 5.174e-01 1.093e+00
+f_cyan_ilr_2 12.4820 -1.050e+06 1.051e+06
+f_JCZ38_qlogis 1.2912 3.561e-01 2.226e+00
+a.1 4.8393 NA NA
+SD.log_k_cyan 0.5840 NA NA
+SD.log_k_JCZ38 1.2740 NA NA
+SD.log_k_J9Z38 0.3172 NA NA
+SD.log_k_JSE76 0.5677 NA NA
+SD.f_cyan_ilr_1 0.2623 NA NA
+SD.f_cyan_ilr_2 1.3724 NA NA
+SD.f_JCZ38_qlogis 0.1464 NA NA
Correlation is not available
Random effects:
est. lower upper
-SD.log_k_cyan 0.5842 NA NA
-SD.log_k_JCZ38 1.2680 NA NA
-SD.log_k_J9Z38 0.3626 NA NA
-SD.log_k_JSE76 0.5244 NA NA
-SD.f_cyan_ilr_1 0.2752 NA NA
-SD.f_cyan_ilr_2 2.3556 NA NA
-SD.f_JCZ38_qlogis 0.2400 NA NA
+SD.log_k_cyan 0.5840 NA NA
+SD.log_k_JCZ38 1.2740 NA NA
+SD.log_k_J9Z38 0.3172 NA NA
+SD.log_k_JSE76 0.5677 NA NA
+SD.f_cyan_ilr_1 0.2623 NA NA
+SD.f_cyan_ilr_2 1.3724 NA NA
+SD.f_JCZ38_qlogis 0.1464 NA NA
Variance model:
est. lower upper
-a.1 4.833 NA NA
+a.1 4.839 NA NA
Backtransformed parameters:
- est. lower upper
-cyan_0 95.094581 NA NA
-k_cyan 0.021186 NA NA
-k_JCZ38 0.047825 NA NA
-k_J9Z38 0.006665 NA NA
-k_JSE76 0.005063 NA NA
-f_cyan_to_JCZ38 0.757885 NA NA
-f_cyan_to_J9Z38 0.242115 NA NA
-f_JCZ38_to_JSE76 0.795792 NA NA
+ est. lower upper
+cyan_0 95.127935 93.542456 96.713413
+k_cyan 0.021221 0.012687 0.035497
+k_JCZ38 0.047924 0.015189 0.151213
+k_J9Z38 0.006674 0.003612 0.012332
+k_JSE76 0.004817 0.002417 0.009601
+f_cyan_to_JCZ38 0.757402 NA NA
+f_cyan_to_J9Z38 0.242597 NA NA
+f_JCZ38_to_JSE76 0.784347 0.588098 0.902582
Resulting formation fractions:
ff
-cyan_JCZ38 7.579e-01
-cyan_J9Z38 2.421e-01
-cyan_sink 5.877e-10
-JCZ38_JSE76 7.958e-01
-JCZ38_sink 2.042e-01
+cyan_JCZ38 7.574e-01
+cyan_J9Z38 2.426e-01
+cyan_sink 9.839e-08
+JCZ38_JSE76 7.843e-01
+JCZ38_sink 2.157e-01
Estimated disappearance times:
DT50 DT90
-cyan 32.72 108.68
-JCZ38 14.49 48.15
-J9Z38 103.99 345.46
-JSE76 136.90 454.76
+cyan 32.66 108.50
+JCZ38 14.46 48.05
+J9Z38 103.86 345.00
+JSE76 143.91 478.04
</code></pre>
<p></p>
@@ -2347,10 +2333,10 @@ Hierarchical SFO path 1 fit with two-component error
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 07:44:53 2023
-Date of summary: Thu Apr 20 20:01:30 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:27:49 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan/dt = - k_cyan * cyan
@@ -2363,7 +2349,7 @@ Data:
Model predictions using solution type deSolve
-Fitted in 429.526 s
+Fitted in 417.436 s
Using 300, 100 iterations and 10 chains
Variance model: Two-component variance function
@@ -2372,7 +2358,7 @@ Starting values for degradation parameters:
cyan_0 log_k_cyan log_k_JCZ38 log_k_J9Z38 log_k_JSE76
96.0039 -3.8907 -3.1276 -5.0069 -4.9367
f_cyan_ilr_1 f_cyan_ilr_2 f_JCZ38_qlogis
- 0.7937 20.0030 15.1336
+ 0.7937 22.3422 17.8932
Fixed degradation parameter values:
None
@@ -2394,8 +2380,8 @@ log_k_JCZ38 0.0000 0.000 0.00
log_k_J9Z38 0.0000 0.000 0.00
log_k_JSE76 0.0000 0.000 0.00
f_cyan_ilr_1 0.7598 0.000 0.00
-f_cyan_ilr_2 0.0000 7.334 0.00
-f_JCZ38_qlogis 0.0000 0.000 11.78
+f_cyan_ilr_2 0.0000 8.939 0.00
+f_JCZ38_qlogis 0.0000 0.000 14.49
Starting values for error model parameters:
a.1 b.1
@@ -2409,66 +2395,66 @@ Likelihood computed by importance sampling
Optimised parameters:
est. lower upper
-cyan_0 94.72923 NA NA
-log_k_cyan -3.91670 NA NA
-log_k_JCZ38 -3.12917 NA NA
-log_k_J9Z38 -5.06070 NA NA
-log_k_JSE76 -5.09254 NA NA
-f_cyan_ilr_1 0.81116 NA NA
-f_cyan_ilr_2 39.97850 NA NA
-f_JCZ38_qlogis 3.09728 NA NA
-a.1 3.95044 NA NA
-b.1 0.07998 NA NA
-SD.log_k_cyan 0.58855 NA NA
-SD.log_k_JCZ38 1.29753 NA NA
-SD.log_k_J9Z38 0.62851 NA NA
-SD.log_k_JSE76 0.37235 NA NA
-SD.f_cyan_ilr_1 0.37346 NA NA
-SD.f_cyan_ilr_2 1.41667 NA NA
-SD.f_JCZ38_qlogis 1.81467 NA NA
+cyan_0 94.81681 NA NA
+log_k_cyan -3.91558 NA NA
+log_k_JCZ38 -3.12715 NA NA
+log_k_J9Z38 -5.04840 NA NA
+log_k_JSE76 -5.10443 NA NA
+f_cyan_ilr_1 0.80760 NA NA
+f_cyan_ilr_2 48.66960 NA NA
+f_JCZ38_qlogis 3.03397 NA NA
+a.1 3.93879 NA NA
+b.1 0.08057 NA NA
+SD.log_k_cyan 0.58921 NA NA
+SD.log_k_JCZ38 1.29813 NA NA
+SD.log_k_J9Z38 0.68372 NA NA
+SD.log_k_JSE76 0.35128 NA NA
+SD.f_cyan_ilr_1 0.38352 NA NA
+SD.f_cyan_ilr_2 4.98884 NA NA
+SD.f_JCZ38_qlogis 1.75636 NA NA
Correlation is not available
Random effects:
est. lower upper
-SD.log_k_cyan 0.5886 NA NA
-SD.log_k_JCZ38 1.2975 NA NA
-SD.log_k_J9Z38 0.6285 NA NA
-SD.log_k_JSE76 0.3724 NA NA
-SD.f_cyan_ilr_1 0.3735 NA NA
-SD.f_cyan_ilr_2 1.4167 NA NA
-SD.f_JCZ38_qlogis 1.8147 NA NA
+SD.log_k_cyan 0.5892 NA NA
+SD.log_k_JCZ38 1.2981 NA NA
+SD.log_k_J9Z38 0.6837 NA NA
+SD.log_k_JSE76 0.3513 NA NA
+SD.f_cyan_ilr_1 0.3835 NA NA
+SD.f_cyan_ilr_2 4.9888 NA NA
+SD.f_JCZ38_qlogis 1.7564 NA NA
Variance model:
est. lower upper
-a.1 3.95044 NA NA
-b.1 0.07998 NA NA
+a.1 3.93879 NA NA
+b.1 0.08057 NA NA
Backtransformed parameters:
- est. lower upper
-cyan_0 94.729229 NA NA
-k_cyan 0.019907 NA NA
-k_JCZ38 0.043754 NA NA
-k_J9Z38 0.006341 NA NA
-k_JSE76 0.006142 NA NA
-f_cyan_to_JCZ38 0.758991 NA NA
-f_cyan_to_J9Z38 0.241009 NA NA
-f_JCZ38_to_JSE76 0.956781 NA NA
+ est. lower upper
+cyan_0 94.81681 NA NA
+k_cyan 0.01993 NA NA
+k_JCZ38 0.04384 NA NA
+k_J9Z38 0.00642 NA NA
+k_JSE76 0.00607 NA NA
+f_cyan_to_JCZ38 0.75807 NA NA
+f_cyan_to_J9Z38 0.24193 NA NA
+f_JCZ38_to_JSE76 0.95409 NA NA
Resulting formation fractions:
ff
-cyan_JCZ38 0.75899
-cyan_J9Z38 0.24101
+cyan_JCZ38 0.75807
+cyan_J9Z38 0.24193
cyan_sink 0.00000
-JCZ38_JSE76 0.95678
-JCZ38_sink 0.04322
+JCZ38_JSE76 0.95409
+JCZ38_sink 0.04591
Estimated disappearance times:
DT50 DT90
-cyan 34.82 115.67
-JCZ38 15.84 52.63
-J9Z38 109.31 363.12
-JSE76 112.85 374.87
+cyan 34.78 115.54
+JCZ38 15.81 52.52
+J9Z38 107.97 358.68
+JSE76 114.20 379.35
</code></pre>
<p></p>
@@ -2477,10 +2463,10 @@ Hierarchical FOMC path 1 fit with constant variance
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 07:45:50 2023
-Date of summary: Thu Apr 20 20:01:30 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:28:29 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan/dt = - (alpha/beta) * 1/((time/beta) + 1) * cyan
@@ -2495,7 +2481,7 @@ Data:
Model predictions using solution type deSolve
-Fitted in 477.996 s
+Fitted in 457.122 s
Using 300, 100 iterations and 10 chains
Variance model: Constant variance
@@ -2504,7 +2490,7 @@ Starting values for degradation parameters:
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
101.2314 -3.3680 -5.1108 -5.9416 0.7144
f_cyan_ilr_2 f_JCZ38_qlogis log_alpha log_beta
- 7.3870 15.7604 -0.1791 2.9811
+ 7.0229 14.9234 -0.1791 2.9811
Fixed degradation parameter values:
None
@@ -2526,8 +2512,8 @@ log_k_JCZ38 0.00 0.00 0.0000 0.0000
log_k_J9Z38 0.00 0.00 0.0000 0.0000
log_k_JSE76 0.00 0.00 0.0000 0.0000
f_cyan_ilr_1 0.00 0.00 0.0000 0.0000
-f_cyan_ilr_2 12.33 0.00 0.0000 0.0000
-f_JCZ38_qlogis 0.00 20.42 0.0000 0.0000
+f_cyan_ilr_2 11.57 0.00 0.0000 0.0000
+f_JCZ38_qlogis 0.00 18.81 0.0000 0.0000
log_alpha 0.00 0.00 0.4144 0.0000
log_beta 0.00 0.00 0.0000 0.5077
@@ -2542,78 +2528,78 @@ Likelihood computed by importance sampling
2428 2421 -1196
Optimised parameters:
- est. lower upper
-cyan_0 101.0225 98.306270 103.7387
-log_k_JCZ38 -3.3786 -4.770657 -1.9866
-log_k_J9Z38 -5.2603 -5.902085 -4.6186
-log_k_JSE76 -6.1427 -7.318336 -4.9671
-f_cyan_ilr_1 0.7437 0.421215 1.0663
-f_cyan_ilr_2 0.9108 0.267977 1.5537
-f_JCZ38_qlogis 2.0487 0.524897 3.5724
-log_alpha -0.2268 -0.618049 0.1644
-log_beta 2.8986 2.700701 3.0964
-a.1 3.4058 3.169913 3.6416
-SD.cyan_0 2.5279 0.454190 4.6016
-SD.log_k_JCZ38 1.5636 0.572824 2.5543
-SD.log_k_J9Z38 0.5316 -0.004405 1.0677
-SD.log_k_JSE76 0.9903 0.106325 1.8742
-SD.f_cyan_ilr_1 0.3464 0.112066 0.5807
-SD.f_cyan_ilr_2 0.2804 -0.393900 0.9546
-SD.f_JCZ38_qlogis 0.9416 -0.152986 2.0362
-SD.log_alpha 0.4273 0.161044 0.6936
+ est. lower upper
+cyan_0 101.1664 98.51265 103.8202
+log_k_JCZ38 -3.3883 -4.78250 -1.9941
+log_k_J9Z38 -5.3087 -5.91564 -4.7017
+log_k_JSE76 -6.1313 -7.30061 -4.9619
+f_cyan_ilr_1 0.7456 0.43782 1.0534
+f_cyan_ilr_2 0.8181 0.24956 1.3866
+f_JCZ38_qlogis 2.0467 0.61165 3.4817
+log_alpha -0.2391 -0.62806 0.1499
+log_beta 2.8739 2.67664 3.0711
+a.1 3.4160 3.17960 3.6525
+SD.cyan_0 2.4355 0.40399 4.4671
+SD.log_k_JCZ38 1.5654 0.57311 2.5576
+SD.log_k_J9Z38 0.4645 -0.06533 0.9943
+SD.log_k_JSE76 0.9841 0.10738 1.8609
+SD.f_cyan_ilr_1 0.3285 0.10546 0.5515
+SD.f_cyan_ilr_2 0.2276 -0.38711 0.8424
+SD.f_JCZ38_qlogis 0.8340 -0.20970 1.8777
+SD.log_alpha 0.4250 0.16017 0.6898
Correlation:
cyan_0 l__JCZ3 l__J9Z3 l__JSE7 f_cy__1 f_cy__2 f_JCZ38 log_lph
-log_k_JCZ38 -0.0156
-log_k_J9Z38 -0.0493 0.0073
-log_k_JSE76 -0.0329 0.0018 0.0069
-f_cyan_ilr_1 -0.0086 0.0180 -0.1406 0.0012
-f_cyan_ilr_2 -0.2629 0.0779 0.2826 0.0274 0.0099
-f_JCZ38_qlogis 0.0713 -0.0747 -0.0505 0.1169 -0.1022 -0.4893
-log_alpha -0.0556 0.0120 0.0336 0.0193 0.0036 0.0840 -0.0489
-log_beta -0.2898 0.0460 0.1305 0.0768 0.0190 0.4071 -0.1981 0.2772
+log_k_JCZ38 -0.0159
+log_k_J9Z38 -0.0546 0.0080
+log_k_JSE76 -0.0337 0.0016 0.0074
+f_cyan_ilr_1 -0.0095 0.0194 -0.1573 0.0003
+f_cyan_ilr_2 -0.2733 0.0799 0.3059 0.0263 0.0125
+f_JCZ38_qlogis 0.0755 -0.0783 -0.0516 0.1222 -0.1155 -0.5231
+log_alpha -0.0567 0.0120 0.0351 0.0189 0.0040 0.0829 -0.0502
+log_beta -0.2980 0.0461 0.1382 0.0758 0.0209 0.4079 -0.2053 0.2759
Random effects:
- est. lower upper
-SD.cyan_0 2.5279 0.454190 4.6016
-SD.log_k_JCZ38 1.5636 0.572824 2.5543
-SD.log_k_J9Z38 0.5316 -0.004405 1.0677
-SD.log_k_JSE76 0.9903 0.106325 1.8742
-SD.f_cyan_ilr_1 0.3464 0.112066 0.5807
-SD.f_cyan_ilr_2 0.2804 -0.393900 0.9546
-SD.f_JCZ38_qlogis 0.9416 -0.152986 2.0362
-SD.log_alpha 0.4273 0.161044 0.6936
+ est. lower upper
+SD.cyan_0 2.4355 0.40399 4.4671
+SD.log_k_JCZ38 1.5654 0.57311 2.5576
+SD.log_k_J9Z38 0.4645 -0.06533 0.9943
+SD.log_k_JSE76 0.9841 0.10738 1.8609
+SD.f_cyan_ilr_1 0.3285 0.10546 0.5515
+SD.f_cyan_ilr_2 0.2276 -0.38711 0.8424
+SD.f_JCZ38_qlogis 0.8340 -0.20970 1.8777
+SD.log_alpha 0.4250 0.16017 0.6898
Variance model:
est. lower upper
-a.1 3.406 3.17 3.642
+a.1 3.416 3.18 3.652
Backtransformed parameters:
est. lower upper
-cyan_0 1.010e+02 9.831e+01 1.037e+02
-k_JCZ38 3.409e-02 8.475e-03 1.372e-01
-k_J9Z38 5.194e-03 2.734e-03 9.867e-03
-k_JSE76 2.149e-03 6.633e-04 6.963e-03
-f_cyan_to_JCZ38 6.481e-01 NA NA
-f_cyan_to_J9Z38 2.264e-01 NA NA
-f_JCZ38_to_JSE76 8.858e-01 6.283e-01 9.727e-01
-alpha 7.971e-01 5.390e-01 1.179e+00
-beta 1.815e+01 1.489e+01 2.212e+01
+cyan_0 1.012e+02 9.851e+01 103.82023
+k_JCZ38 3.377e-02 8.375e-03 0.13614
+k_J9Z38 4.948e-03 2.697e-03 0.00908
+k_JSE76 2.174e-03 6.751e-04 0.00700
+f_cyan_to_JCZ38 6.389e-01 NA NA
+f_cyan_to_J9Z38 2.226e-01 NA NA
+f_JCZ38_to_JSE76 8.856e-01 6.483e-01 0.97016
+alpha 7.873e-01 5.336e-01 1.16166
+beta 1.771e+01 1.454e+01 21.56509
Resulting formation fractions:
ff
-cyan_JCZ38 0.6481
-cyan_J9Z38 0.2264
-cyan_sink 0.1255
-JCZ38_JSE76 0.8858
-JCZ38_sink 0.1142
+cyan_JCZ38 0.6389
+cyan_J9Z38 0.2226
+cyan_sink 0.1385
+JCZ38_JSE76 0.8856
+JCZ38_sink 0.1144
Estimated disappearance times:
DT50 DT90 DT50back
-cyan 25.15 308.01 92.72
-JCZ38 20.33 67.54 NA
-J9Z38 133.46 443.35 NA
-JSE76 322.53 1071.42 NA
+cyan 25.00 312.06 93.94
+JCZ38 20.53 68.19 NA
+J9Z38 140.07 465.32 NA
+JSE76 318.86 1059.22 NA
</code></pre>
<p></p>
@@ -2622,10 +2608,10 @@ Hierarchical FOMC path 1 fit with two-component error
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 07:45:45 2023
-Date of summary: Thu Apr 20 20:01:30 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:28:21 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan/dt = - (alpha/beta) * 1/((time/beta) + 1) * cyan
@@ -2640,41 +2626,41 @@ Data:
Model predictions using solution type deSolve
-Fitted in 480.648 s
+Fitted in 449.531 s
Using 300, 100 iterations and 10 chains
Variance model: Two-component variance function
Starting values for degradation parameters:
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
- 101.13827 -3.32493 -5.08921 -5.93478 0.71330
+ 101.13294 -3.32499 -5.09097 -5.93566 0.71359
f_cyan_ilr_2 f_JCZ38_qlogis log_alpha log_beta
- 10.05989 12.79248 -0.09621 3.10646
+ 10.30315 14.62272 -0.09633 3.10634
Fixed degradation parameter values:
None
Starting values for random effects (square root of initial entries in omega):
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
-cyan_0 5.643 0.000 0.000 0.00 0.0000
-log_k_JCZ38 0.000 2.319 0.000 0.00 0.0000
-log_k_J9Z38 0.000 0.000 1.731 0.00 0.0000
-log_k_JSE76 0.000 0.000 0.000 1.86 0.0000
-f_cyan_ilr_1 0.000 0.000 0.000 0.00 0.7186
-f_cyan_ilr_2 0.000 0.000 0.000 0.00 0.0000
-f_JCZ38_qlogis 0.000 0.000 0.000 0.00 0.0000
-log_alpha 0.000 0.000 0.000 0.00 0.0000
-log_beta 0.000 0.000 0.000 0.00 0.0000
+cyan_0 5.649 0.000 0.00 0.00 0.0000
+log_k_JCZ38 0.000 2.319 0.00 0.00 0.0000
+log_k_J9Z38 0.000 0.000 1.73 0.00 0.0000
+log_k_JSE76 0.000 0.000 0.00 1.86 0.0000
+f_cyan_ilr_1 0.000 0.000 0.00 0.00 0.7183
+f_cyan_ilr_2 0.000 0.000 0.00 0.00 0.0000
+f_JCZ38_qlogis 0.000 0.000 0.00 0.00 0.0000
+log_alpha 0.000 0.000 0.00 0.00 0.0000
+log_beta 0.000 0.000 0.00 0.00 0.0000
f_cyan_ilr_2 f_JCZ38_qlogis log_alpha log_beta
cyan_0 0.00 0.00 0.0000 0.0000
log_k_JCZ38 0.00 0.00 0.0000 0.0000
log_k_J9Z38 0.00 0.00 0.0000 0.0000
log_k_JSE76 0.00 0.00 0.0000 0.0000
f_cyan_ilr_1 0.00 0.00 0.0000 0.0000
-f_cyan_ilr_2 12.49 0.00 0.0000 0.0000
-f_JCZ38_qlogis 0.00 20.19 0.0000 0.0000
+f_cyan_ilr_2 12.85 0.00 0.0000 0.0000
+f_JCZ38_qlogis 0.00 18.54 0.0000 0.0000
log_alpha 0.00 0.00 0.3142 0.0000
-log_beta 0.00 0.00 0.0000 0.7331
+log_beta 0.00 0.00 0.0000 0.7333
Starting values for error model parameters:
a.1 b.1
@@ -2684,74 +2670,74 @@ Results:
Likelihood computed by importance sampling
AIC BIC logLik
- 2423 2416 -1193
+ 2424 2416 -1193
Optimised parameters:
est. lower upper
-cyan_0 100.57649 NA NA
-log_k_JCZ38 -3.46250 NA NA
-log_k_J9Z38 -5.24442 NA NA
-log_k_JSE76 -5.75229 NA NA
-f_cyan_ilr_1 0.68480 NA NA
-f_cyan_ilr_2 0.61670 NA NA
-f_JCZ38_qlogis 87.97407 NA NA
-log_alpha -0.15699 NA NA
-log_beta 3.01540 NA NA
-a.1 3.11518 NA NA
-b.1 0.04445 NA NA
-SD.log_k_JCZ38 1.40732 NA NA
-SD.log_k_J9Z38 0.56510 NA NA
-SD.log_k_JSE76 0.72067 NA NA
-SD.f_cyan_ilr_1 0.31199 NA NA
-SD.f_cyan_ilr_2 0.36894 NA NA
-SD.f_JCZ38_qlogis 6.92892 NA NA
-SD.log_alpha 0.25662 NA NA
-SD.log_beta 0.35845 NA NA
+cyan_0 100.65667 NA NA
+log_k_JCZ38 -3.45782 NA NA
+log_k_J9Z38 -5.23476 NA NA
+log_k_JSE76 -5.71827 NA NA
+f_cyan_ilr_1 0.68389 NA NA
+f_cyan_ilr_2 0.61027 NA NA
+f_JCZ38_qlogis 116.27482 NA NA
+log_alpha -0.14484 NA NA
+log_beta 3.03220 NA NA
+a.1 3.11051 NA NA
+b.1 0.04508 NA NA
+SD.log_k_JCZ38 1.39961 NA NA
+SD.log_k_J9Z38 0.57920 NA NA
+SD.log_k_JSE76 0.68364 NA NA
+SD.f_cyan_ilr_1 0.31477 NA NA
+SD.f_cyan_ilr_2 0.37716 NA NA
+SD.f_JCZ38_qlogis 5.52695 NA NA
+SD.log_alpha 0.22823 NA NA
+SD.log_beta 0.39161 NA NA
Correlation is not available
Random effects:
est. lower upper
-SD.log_k_JCZ38 1.4073 NA NA
-SD.log_k_J9Z38 0.5651 NA NA
-SD.log_k_JSE76 0.7207 NA NA
-SD.f_cyan_ilr_1 0.3120 NA NA
-SD.f_cyan_ilr_2 0.3689 NA NA
-SD.f_JCZ38_qlogis 6.9289 NA NA
-SD.log_alpha 0.2566 NA NA
-SD.log_beta 0.3585 NA NA
+SD.log_k_JCZ38 1.3996 NA NA
+SD.log_k_J9Z38 0.5792 NA NA
+SD.log_k_JSE76 0.6836 NA NA
+SD.f_cyan_ilr_1 0.3148 NA NA
+SD.f_cyan_ilr_2 0.3772 NA NA
+SD.f_JCZ38_qlogis 5.5270 NA NA
+SD.log_alpha 0.2282 NA NA
+SD.log_beta 0.3916 NA NA
Variance model:
est. lower upper
-a.1 3.11518 NA NA
-b.1 0.04445 NA NA
+a.1 3.11051 NA NA
+b.1 0.04508 NA NA
Backtransformed parameters:
est. lower upper
-cyan_0 1.006e+02 NA NA
-k_JCZ38 3.135e-02 NA NA
-k_J9Z38 5.277e-03 NA NA
-k_JSE76 3.175e-03 NA NA
-f_cyan_to_JCZ38 5.991e-01 NA NA
-f_cyan_to_J9Z38 2.275e-01 NA NA
+cyan_0 1.007e+02 NA NA
+k_JCZ38 3.150e-02 NA NA
+k_J9Z38 5.328e-03 NA NA
+k_JSE76 3.285e-03 NA NA
+f_cyan_to_JCZ38 5.980e-01 NA NA
+f_cyan_to_J9Z38 2.273e-01 NA NA
f_JCZ38_to_JSE76 1.000e+00 NA NA
-alpha 8.547e-01 NA NA
-beta 2.040e+01 NA NA
+alpha 8.652e-01 NA NA
+beta 2.074e+01 NA NA
Resulting formation fractions:
ff
-cyan_JCZ38 0.5991
-cyan_J9Z38 0.2275
-cyan_sink 0.1734
+cyan_JCZ38 0.5980
+cyan_J9Z38 0.2273
+cyan_sink 0.1746
JCZ38_JSE76 1.0000
JCZ38_sink 0.0000
Estimated disappearance times:
- DT50 DT90 DT50back
-cyan 25.50 281.29 84.68
-JCZ38 22.11 73.44 NA
-J9Z38 131.36 436.35 NA
-JSE76 218.28 725.11 NA
+ DT50 DT90 DT50back
+cyan 25.48 276.2 83.15
+JCZ38 22.01 73.1 NA
+J9Z38 130.09 432.2 NA
+JSE76 210.98 700.9 NA
</code></pre>
<p></p>
@@ -2760,10 +2746,10 @@ Hierarchical DFOP path 1 fit with constant variance
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 07:46:41 2023
-Date of summary: Thu Apr 20 20:01:30 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:29:15 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *
@@ -2782,16 +2768,16 @@ Data:
Model predictions using solution type deSolve
-Fitted in 528.713 s
+Fitted in 503.737 s
Using 300, 100 iterations and 10 chains
Variance model: Constant variance
Starting values for degradation parameters:
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
- 102.0644 -3.4008 -5.0024 -5.8613 0.6855
+ 102.0643 -3.4008 -5.0024 -5.8612 0.6855
f_cyan_ilr_2 f_JCZ38_qlogis log_k1 log_k2 g_qlogis
- 1.2365 13.7245 -1.8641 -4.5063 -0.6468
+ 1.2366 13.6901 -1.8641 -4.5063 -0.6468
Fixed degradation parameter values:
None
@@ -2815,7 +2801,7 @@ log_k_J9Z38 0.00 0.00 0.0000 0.0000 0.000
log_k_JSE76 0.00 0.00 0.0000 0.0000 0.000
f_cyan_ilr_1 0.00 0.00 0.0000 0.0000 0.000
f_cyan_ilr_2 1.28 0.00 0.0000 0.0000 0.000
-f_JCZ38_qlogis 0.00 16.11 0.0000 0.0000 0.000
+f_JCZ38_qlogis 0.00 16.08 0.0000 0.0000 0.000
log_k1 0.00 0.00 0.9866 0.0000 0.000
log_k2 0.00 0.00 0.0000 0.5953 0.000
g_qlogis 0.00 0.00 0.0000 0.0000 1.583
@@ -2832,72 +2818,72 @@ Likelihood computed by importance sampling
Optimised parameters:
est. lower upper
-cyan_0 102.6079 NA NA
-log_k_JCZ38 -3.4855 NA NA
-log_k_J9Z38 -5.1686 NA NA
-log_k_JSE76 -5.6697 NA NA
-f_cyan_ilr_1 0.6714 NA NA
-f_cyan_ilr_2 0.4986 NA NA
-f_JCZ38_qlogis 55.4760 NA NA
-log_k1 -1.8409 NA NA
-log_k2 -4.4915 NA NA
-g_qlogis -0.6403 NA NA
-a.1 3.2387 NA NA
-SD.log_k_JCZ38 1.4524 NA NA
-SD.log_k_J9Z38 0.5151 NA NA
-SD.log_k_JSE76 0.6514 NA NA
-SD.f_cyan_ilr_1 0.3023 NA NA
-SD.f_cyan_ilr_2 0.2959 NA NA
-SD.f_JCZ38_qlogis 1.9984 NA NA
-SD.log_k1 0.5188 NA NA
-SD.log_k2 0.3894 NA NA
-SD.g_qlogis 0.8579 NA NA
+cyan_0 102.5565 NA NA
+log_k_JCZ38 -3.4729 NA NA
+log_k_J9Z38 -5.1533 NA NA
+log_k_JSE76 -5.6669 NA NA
+f_cyan_ilr_1 0.6665 NA NA
+f_cyan_ilr_2 0.5191 NA NA
+f_JCZ38_qlogis 37.0113 NA NA
+log_k1 -1.8497 NA NA
+log_k2 -4.4931 NA NA
+g_qlogis -0.6383 NA NA
+a.1 3.2397 NA NA
+SD.log_k_JCZ38 1.4286 NA NA
+SD.log_k_J9Z38 0.5312 NA NA
+SD.log_k_JSE76 0.6627 NA NA
+SD.f_cyan_ilr_1 0.3013 NA NA
+SD.f_cyan_ilr_2 0.2980 NA NA
+SD.f_JCZ38_qlogis 0.1637 NA NA
+SD.log_k1 0.5069 NA NA
+SD.log_k2 0.3828 NA NA
+SD.g_qlogis 0.8641 NA NA
Correlation is not available
Random effects:
est. lower upper
-SD.log_k_JCZ38 1.4524 NA NA
-SD.log_k_J9Z38 0.5151 NA NA
-SD.log_k_JSE76 0.6514 NA NA
-SD.f_cyan_ilr_1 0.3023 NA NA
-SD.f_cyan_ilr_2 0.2959 NA NA
-SD.f_JCZ38_qlogis 1.9984 NA NA
-SD.log_k1 0.5188 NA NA
-SD.log_k2 0.3894 NA NA
-SD.g_qlogis 0.8579 NA NA
+SD.log_k_JCZ38 1.4286 NA NA
+SD.log_k_J9Z38 0.5312 NA NA
+SD.log_k_JSE76 0.6627 NA NA
+SD.f_cyan_ilr_1 0.3013 NA NA
+SD.f_cyan_ilr_2 0.2980 NA NA
+SD.f_JCZ38_qlogis 0.1637 NA NA
+SD.log_k1 0.5069 NA NA
+SD.log_k2 0.3828 NA NA
+SD.g_qlogis 0.8641 NA NA
Variance model:
- est. lower upper
-a.1 3.239 NA NA
+ est. lower upper
+a.1 3.24 NA NA
Backtransformed parameters:
est. lower upper
cyan_0 1.026e+02 NA NA
-k_JCZ38 3.064e-02 NA NA
-k_J9Z38 5.692e-03 NA NA
-k_JSE76 3.449e-03 NA NA
-f_cyan_to_JCZ38 5.798e-01 NA NA
-f_cyan_to_J9Z38 2.243e-01 NA NA
+k_JCZ38 3.103e-02 NA NA
+k_J9Z38 5.780e-03 NA NA
+k_JSE76 3.459e-03 NA NA
+f_cyan_to_JCZ38 5.813e-01 NA NA
+f_cyan_to_J9Z38 2.265e-01 NA NA
f_JCZ38_to_JSE76 1.000e+00 NA NA
-k1 1.587e-01 NA NA
-k2 1.120e-02 NA NA
-g 3.452e-01 NA NA
+k1 1.573e-01 NA NA
+k2 1.119e-02 NA NA
+g 3.456e-01 NA NA
Resulting formation fractions:
ff
-cyan_JCZ38 0.5798
-cyan_J9Z38 0.2243
-cyan_sink 0.1958
+cyan_JCZ38 0.5813
+cyan_J9Z38 0.2265
+cyan_sink 0.1922
JCZ38_JSE76 1.0000
JCZ38_sink 0.0000
Estimated disappearance times:
DT50 DT90 DT50back DT50_k1 DT50_k2
-cyan 25.21 167.73 50.49 4.368 61.87
-JCZ38 22.62 75.15 NA NA NA
-J9Z38 121.77 404.50 NA NA NA
-JSE76 200.98 667.64 NA NA NA
+cyan 25.23 167.94 50.55 4.407 61.97
+JCZ38 22.34 74.22 NA NA NA
+J9Z38 119.92 398.36 NA NA NA
+JSE76 200.41 665.76 NA NA NA
</code></pre>
<p></p>
@@ -2906,10 +2892,10 @@ Hierarchical DFOP path 1 fit with two-component error
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 07:49:05 2023
-Date of summary: Thu Apr 20 20:01:30 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:31:24 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *
@@ -2928,7 +2914,7 @@ Data:
Model predictions using solution type deSolve
-Fitted in 673.139 s
+Fitted in 632.55 s
Using 300, 100 iterations and 10 chains
Variance model: Two-component variance function
@@ -2937,7 +2923,7 @@ Starting values for degradation parameters:
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
101.3964 -3.3626 -4.9792 -5.8727 0.6814
f_cyan_ilr_2 f_JCZ38_qlogis log_k1 log_k2 g_qlogis
- 6.7799 13.7245 -1.9222 -4.5035 -0.7172
+ 6.8713 13.6901 -1.9222 -4.5035 -0.7172
Fixed degradation parameter values:
None
@@ -2948,7 +2934,7 @@ cyan_0 5.317 0.000 0.000 0.000 0.0000
log_k_JCZ38 0.000 2.272 0.000 0.000 0.0000
log_k_J9Z38 0.000 0.000 1.633 0.000 0.0000
log_k_JSE76 0.000 0.000 0.000 1.271 0.0000
-f_cyan_ilr_1 0.000 0.000 0.000 0.000 0.6838
+f_cyan_ilr_1 0.000 0.000 0.000 0.000 0.6839
f_cyan_ilr_2 0.000 0.000 0.000 0.000 0.0000
f_JCZ38_qlogis 0.000 0.000 0.000 0.000 0.0000
log_k1 0.000 0.000 0.000 0.000 0.0000
@@ -2960,8 +2946,8 @@ log_k_JCZ38 0.00 0.00 0.0000 0.0000 0.000
log_k_J9Z38 0.00 0.00 0.0000 0.0000 0.000
log_k_JSE76 0.00 0.00 0.0000 0.0000 0.000
f_cyan_ilr_1 0.00 0.00 0.0000 0.0000 0.000
-f_cyan_ilr_2 11.77 0.00 0.0000 0.0000 0.000
-f_JCZ38_qlogis 0.00 16.11 0.0000 0.0000 0.000
+f_cyan_ilr_2 11.95 0.00 0.0000 0.0000 0.000
+f_JCZ38_qlogis 0.00 16.08 0.0000 0.0000 0.000
log_k1 0.00 0.00 0.9496 0.0000 0.000
log_k2 0.00 0.00 0.0000 0.5846 0.000
g_qlogis 0.00 0.00 0.0000 0.0000 1.719
@@ -2977,73 +2963,73 @@ Likelihood computed by importance sampling
2398 2390 -1179
Optimised parameters:
- est. lower upper
-cyan_0 100.8076 NA NA
-log_k_JCZ38 -3.4684 NA NA
-log_k_J9Z38 -5.0844 NA NA
-log_k_JSE76 -5.5743 NA NA
-f_cyan_ilr_1 0.6669 NA NA
-f_cyan_ilr_2 0.7912 NA NA
-f_JCZ38_qlogis 84.1825 NA NA
-log_k1 -2.1671 NA NA
-log_k2 -4.5447 NA NA
-g_qlogis -0.5631 NA NA
-a.1 2.9627 NA NA
-b.1 0.0444 NA NA
-SD.log_k_JCZ38 1.4044 NA NA
-SD.log_k_J9Z38 0.6410 NA NA
-SD.log_k_JSE76 0.5391 NA NA
-SD.f_cyan_ilr_1 0.3203 NA NA
-SD.f_cyan_ilr_2 0.5038 NA NA
-SD.f_JCZ38_qlogis 3.5865 NA NA
-SD.log_k2 0.3119 NA NA
-SD.g_qlogis 0.8276 NA NA
+ est. lower upper
+cyan_0 100.69709 NA NA
+log_k_JCZ38 -3.46669 NA NA
+log_k_J9Z38 -5.05076 NA NA
+log_k_JSE76 -5.55558 NA NA
+f_cyan_ilr_1 0.66045 NA NA
+f_cyan_ilr_2 0.84275 NA NA
+f_JCZ38_qlogis 64.22404 NA NA
+log_k1 -2.17715 NA NA
+log_k2 -4.55002 NA NA
+g_qlogis -0.55920 NA NA
+a.1 2.95785 NA NA
+b.1 0.04456 NA NA
+SD.log_k_JCZ38 1.39881 NA NA
+SD.log_k_J9Z38 0.67788 NA NA
+SD.log_k_JSE76 0.52603 NA NA
+SD.f_cyan_ilr_1 0.32490 NA NA
+SD.f_cyan_ilr_2 0.53923 NA NA
+SD.f_JCZ38_qlogis 2.75576 NA NA
+SD.log_k2 0.30694 NA NA
+SD.g_qlogis 0.83619 NA NA
Correlation is not available
Random effects:
est. lower upper
-SD.log_k_JCZ38 1.4044 NA NA
-SD.log_k_J9Z38 0.6410 NA NA
-SD.log_k_JSE76 0.5391 NA NA
-SD.f_cyan_ilr_1 0.3203 NA NA
-SD.f_cyan_ilr_2 0.5038 NA NA
-SD.f_JCZ38_qlogis 3.5865 NA NA
-SD.log_k2 0.3119 NA NA
-SD.g_qlogis 0.8276 NA NA
+SD.log_k_JCZ38 1.3988 NA NA
+SD.log_k_J9Z38 0.6779 NA NA
+SD.log_k_JSE76 0.5260 NA NA
+SD.f_cyan_ilr_1 0.3249 NA NA
+SD.f_cyan_ilr_2 0.5392 NA NA
+SD.f_JCZ38_qlogis 2.7558 NA NA
+SD.log_k2 0.3069 NA NA
+SD.g_qlogis 0.8362 NA NA
Variance model:
- est. lower upper
-a.1 2.9627 NA NA
-b.1 0.0444 NA NA
+ est. lower upper
+a.1 2.95785 NA NA
+b.1 0.04456 NA NA
Backtransformed parameters:
est. lower upper
-cyan_0 1.008e+02 NA NA
-k_JCZ38 3.117e-02 NA NA
-k_J9Z38 6.193e-03 NA NA
-k_JSE76 3.794e-03 NA NA
-f_cyan_to_JCZ38 6.149e-01 NA NA
-f_cyan_to_J9Z38 2.395e-01 NA NA
+cyan_0 1.007e+02 NA NA
+k_JCZ38 3.122e-02 NA NA
+k_J9Z38 6.404e-03 NA NA
+k_JSE76 3.866e-03 NA NA
+f_cyan_to_JCZ38 6.187e-01 NA NA
+f_cyan_to_J9Z38 2.431e-01 NA NA
f_JCZ38_to_JSE76 1.000e+00 NA NA
-k1 1.145e-01 NA NA
-k2 1.062e-02 NA NA
-g 3.628e-01 NA NA
+k1 1.134e-01 NA NA
+k2 1.057e-02 NA NA
+g 3.637e-01 NA NA
Resulting formation fractions:
ff
-cyan_JCZ38 0.6149
-cyan_J9Z38 0.2395
-cyan_sink 0.1456
+cyan_JCZ38 0.6187
+cyan_J9Z38 0.2431
+cyan_sink 0.1382
JCZ38_JSE76 1.0000
JCZ38_sink 0.0000
Estimated disappearance times:
DT50 DT90 DT50back DT50_k1 DT50_k2
-cyan 26.26 174.32 52.47 6.053 65.25
-JCZ38 22.24 73.88 NA NA NA
-J9Z38 111.93 371.82 NA NA NA
-JSE76 182.69 606.88 NA NA NA
+cyan 26.35 175.12 52.72 6.114 65.6
+JCZ38 22.20 73.75 NA NA NA
+J9Z38 108.23 359.53 NA NA NA
+JSE76 179.30 595.62 NA NA NA
</code></pre>
<p></p>
@@ -3052,10 +3038,10 @@ Hierarchical SFORB path 1 fit with constant variance
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 07:46:35 2023
-Date of summary: Thu Apr 20 20:01:30 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:29:23 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan_free/dt = - k_cyan_free * cyan_free - k_cyan_free_bound *
@@ -3073,7 +3059,7 @@ Data:
Model predictions using solution type deSolve
-Fitted in 531.17 s
+Fitted in 511.715 s
Using 300, 100 iterations and 10 chains
Variance model: Constant variance
@@ -3086,7 +3072,7 @@ log_k_cyan_bound_free log_k_JCZ38 log_k_J9Z38
log_k_JSE76 f_cyan_ilr_1 f_cyan_ilr_2
-5.8613 0.6855 1.2366
f_JCZ38_qlogis
- 13.7418
+ 13.7395
Fixed degradation parameter values:
None
@@ -3124,7 +3110,7 @@ log_k_J9Z38 0.0000 0.00 0.00
log_k_JSE76 0.0000 0.00 0.00
f_cyan_ilr_1 0.6852 0.00 0.00
f_cyan_ilr_2 0.0000 1.28 0.00
-f_JCZ38_qlogis 0.0000 0.00 16.14
+f_JCZ38_qlogis 0.0000 0.00 16.13
Starting values for error model parameters:
a.1
@@ -3138,77 +3124,77 @@ Likelihood computed by importance sampling
Optimised parameters:
est. lower upper
-cyan_free_0 102.7803 NA NA
-log_k_cyan_free -2.8068 NA NA
-log_k_cyan_free_bound -2.5714 NA NA
-log_k_cyan_bound_free -3.4426 NA NA
-log_k_JCZ38 -3.4994 NA NA
-log_k_J9Z38 -5.1148 NA NA
-log_k_JSE76 -5.6335 NA NA
-f_cyan_ilr_1 0.6597 NA NA
-f_cyan_ilr_2 0.5132 NA NA
-f_JCZ38_qlogis 37.2090 NA NA
-a.1 3.2367 NA NA
-SD.log_k_cyan_free 0.3161 NA NA
-SD.log_k_cyan_free_bound 0.8103 NA NA
-SD.log_k_cyan_bound_free 0.5554 NA NA
-SD.log_k_JCZ38 1.4858 NA NA
-SD.log_k_J9Z38 0.5859 NA NA
-SD.log_k_JSE76 0.6195 NA NA
-SD.f_cyan_ilr_1 0.3118 NA NA
-SD.f_cyan_ilr_2 0.3344 NA NA
-SD.f_JCZ38_qlogis 0.5518 NA NA
+cyan_free_0 102.8136 NA NA
+log_k_cyan_free -2.7935 NA NA
+log_k_cyan_free_bound -2.5440 NA NA
+log_k_cyan_bound_free -3.4303 NA NA
+log_k_JCZ38 -3.5010 NA NA
+log_k_J9Z38 -5.1226 NA NA
+log_k_JSE76 -5.6314 NA NA
+f_cyan_ilr_1 0.6609 NA NA
+f_cyan_ilr_2 0.5085 NA NA
+f_JCZ38_qlogis 44.0153 NA NA
+a.1 3.2318 NA NA
+SD.log_k_cyan_free 0.3211 NA NA
+SD.log_k_cyan_free_bound 0.8408 NA NA
+SD.log_k_cyan_bound_free 0.5724 NA NA
+SD.log_k_JCZ38 1.4925 NA NA
+SD.log_k_J9Z38 0.5816 NA NA
+SD.log_k_JSE76 0.6037 NA NA
+SD.f_cyan_ilr_1 0.3115 NA NA
+SD.f_cyan_ilr_2 0.3436 NA NA
+SD.f_JCZ38_qlogis 4.8937 NA NA
Correlation is not available
Random effects:
est. lower upper
-SD.log_k_cyan_free 0.3161 NA NA
-SD.log_k_cyan_free_bound 0.8103 NA NA
-SD.log_k_cyan_bound_free 0.5554 NA NA
-SD.log_k_JCZ38 1.4858 NA NA
-SD.log_k_J9Z38 0.5859 NA NA
-SD.log_k_JSE76 0.6195 NA NA
-SD.f_cyan_ilr_1 0.3118 NA NA
-SD.f_cyan_ilr_2 0.3344 NA NA
-SD.f_JCZ38_qlogis 0.5518 NA NA
+SD.log_k_cyan_free 0.3211 NA NA
+SD.log_k_cyan_free_bound 0.8408 NA NA
+SD.log_k_cyan_bound_free 0.5724 NA NA
+SD.log_k_JCZ38 1.4925 NA NA
+SD.log_k_J9Z38 0.5816 NA NA
+SD.log_k_JSE76 0.6037 NA NA
+SD.f_cyan_ilr_1 0.3115 NA NA
+SD.f_cyan_ilr_2 0.3436 NA NA
+SD.f_JCZ38_qlogis 4.8937 NA NA
Variance model:
est. lower upper
-a.1 3.237 NA NA
+a.1 3.232 NA NA
Backtransformed parameters:
est. lower upper
cyan_free_0 1.028e+02 NA NA
-k_cyan_free 6.040e-02 NA NA
-k_cyan_free_bound 7.643e-02 NA NA
-k_cyan_bound_free 3.198e-02 NA NA
-k_JCZ38 3.022e-02 NA NA
-k_J9Z38 6.007e-03 NA NA
-k_JSE76 3.576e-03 NA NA
-f_cyan_free_to_JCZ38 5.787e-01 NA NA
-f_cyan_free_to_J9Z38 2.277e-01 NA NA
+k_cyan_free 6.120e-02 NA NA
+k_cyan_free_bound 7.855e-02 NA NA
+k_cyan_bound_free 3.238e-02 NA NA
+k_JCZ38 3.017e-02 NA NA
+k_J9Z38 5.961e-03 NA NA
+k_JSE76 3.584e-03 NA NA
+f_cyan_free_to_JCZ38 5.784e-01 NA NA
+f_cyan_free_to_J9Z38 2.271e-01 NA NA
f_JCZ38_to_JSE76 1.000e+00 NA NA
Estimated Eigenvalues of SFORB model(s):
cyan_b1 cyan_b2 cyan_g
-0.15646 0.01235 0.33341
+0.15973 0.01241 0.33124
Resulting formation fractions:
ff
-cyan_free_JCZ38 0.5787
-cyan_free_J9Z38 0.2277
-cyan_free_sink 0.1936
+cyan_free_JCZ38 0.5784
+cyan_free_J9Z38 0.2271
+cyan_free_sink 0.1945
cyan_free 1.0000
JCZ38_JSE76 1.0000
JCZ38_sink 0.0000
Estimated disappearance times:
- DT50 DT90 DT50back DT50_cyan_b1 DT50_cyan_b2
-cyan 24.48 153.7 46.26 4.43 56.15
-JCZ38 22.94 76.2 NA NA NA
-J9Z38 115.39 383.3 NA NA NA
-JSE76 193.84 643.9 NA NA NA
+ DT50 DT90 DT50back DT50_cyan_b1 DT50_cyan_b2
+cyan 24.51 153.18 46.11 4.34 55.87
+JCZ38 22.98 76.33 NA NA NA
+J9Z38 116.28 386.29 NA NA NA
+JSE76 193.42 642.53 NA NA NA
</code></pre>
<p></p>
@@ -3217,10 +3203,10 @@ Hierarchical SFORB path 1 fit with two-component error
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 07:49:08 2023
-Date of summary: Thu Apr 20 20:01:30 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:31:23 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan_free/dt = - k_cyan_free * cyan_free - k_cyan_free_bound *
@@ -3238,7 +3224,7 @@ Data:
Model predictions using solution type deSolve
-Fitted in 675.659 s
+Fitted in 630.627 s
Using 300, 100 iterations and 10 chains
Variance model: Two-component variance function
@@ -3249,9 +3235,9 @@ Starting values for degradation parameters:
log_k_cyan_bound_free log_k_JCZ38 log_k_J9Z38
-3.4376 -3.3626 -4.9792
log_k_JSE76 f_cyan_ilr_1 f_cyan_ilr_2
- -5.8727 0.6814 6.8139
+ -5.8727 0.6814 6.7399
f_JCZ38_qlogis
- 13.7419
+ 13.7395
Fixed degradation parameter values:
None
@@ -3288,8 +3274,8 @@ log_k_JCZ38 0.0000 0.00 0.00
log_k_J9Z38 0.0000 0.00 0.00
log_k_JSE76 0.0000 0.00 0.00
f_cyan_ilr_1 0.6838 0.00 0.00
-f_cyan_ilr_2 0.0000 11.84 0.00
-f_JCZ38_qlogis 0.0000 0.00 16.14
+f_cyan_ilr_2 0.0000 11.69 0.00
+f_JCZ38_qlogis 0.0000 0.00 16.13
Starting values for error model parameters:
a.1 b.1
@@ -3303,77 +3289,77 @@ Likelihood computed by importance sampling
Optimised parameters:
est. lower upper
-cyan_free_0 100.69983 NA NA
-log_k_cyan_free -3.11584 NA NA
-log_k_cyan_free_bound -3.15216 NA NA
-log_k_cyan_bound_free -3.65986 NA NA
-log_k_JCZ38 -3.47811 NA NA
-log_k_J9Z38 -5.08835 NA NA
-log_k_JSE76 -5.55514 NA NA
-f_cyan_ilr_1 0.66764 NA NA
-f_cyan_ilr_2 0.78329 NA NA
-f_JCZ38_qlogis 25.35245 NA NA
-a.1 2.99088 NA NA
-b.1 0.04346 NA NA
-SD.log_k_cyan_free 0.48797 NA NA
-SD.log_k_cyan_bound_free 0.27243 NA NA
-SD.log_k_JCZ38 1.42450 NA NA
-SD.log_k_J9Z38 0.63496 NA NA
-SD.log_k_JSE76 0.55951 NA NA
-SD.f_cyan_ilr_1 0.32687 NA NA
-SD.f_cyan_ilr_2 0.48056 NA NA
-SD.f_JCZ38_qlogis 0.43818 NA NA
+cyan_free_0 100.56004 NA NA
+log_k_cyan_free -3.12657 NA NA
+log_k_cyan_free_bound -3.16825 NA NA
+log_k_cyan_bound_free -3.66003 NA NA
+log_k_JCZ38 -3.47278 NA NA
+log_k_J9Z38 -5.06823 NA NA
+log_k_JSE76 -5.54327 NA NA
+f_cyan_ilr_1 0.66631 NA NA
+f_cyan_ilr_2 0.82898 NA NA
+f_JCZ38_qlogis 38.31115 NA NA
+a.1 2.98352 NA NA
+b.1 0.04388 NA NA
+SD.log_k_cyan_free 0.49145 NA NA
+SD.log_k_cyan_bound_free 0.27347 NA NA
+SD.log_k_JCZ38 1.41193 NA NA
+SD.log_k_J9Z38 0.66073 NA NA
+SD.log_k_JSE76 0.55885 NA NA
+SD.f_cyan_ilr_1 0.33020 NA NA
+SD.f_cyan_ilr_2 0.51367 NA NA
+SD.f_JCZ38_qlogis 5.52122 NA NA
Correlation is not available
Random effects:
est. lower upper
-SD.log_k_cyan_free 0.4880 NA NA
-SD.log_k_cyan_bound_free 0.2724 NA NA
-SD.log_k_JCZ38 1.4245 NA NA
-SD.log_k_J9Z38 0.6350 NA NA
-SD.log_k_JSE76 0.5595 NA NA
-SD.f_cyan_ilr_1 0.3269 NA NA
-SD.f_cyan_ilr_2 0.4806 NA NA
-SD.f_JCZ38_qlogis 0.4382 NA NA
+SD.log_k_cyan_free 0.4914 NA NA
+SD.log_k_cyan_bound_free 0.2735 NA NA
+SD.log_k_JCZ38 1.4119 NA NA
+SD.log_k_J9Z38 0.6607 NA NA
+SD.log_k_JSE76 0.5589 NA NA
+SD.f_cyan_ilr_1 0.3302 NA NA
+SD.f_cyan_ilr_2 0.5137 NA NA
+SD.f_JCZ38_qlogis 5.5212 NA NA
Variance model:
est. lower upper
-a.1 2.99088 NA NA
-b.1 0.04346 NA NA
+a.1 2.98352 NA NA
+b.1 0.04388 NA NA
Backtransformed parameters:
est. lower upper
-cyan_free_0 1.007e+02 NA NA
-k_cyan_free 4.434e-02 NA NA
-k_cyan_free_bound 4.276e-02 NA NA
-k_cyan_bound_free 2.574e-02 NA NA
-k_JCZ38 3.087e-02 NA NA
-k_J9Z38 6.168e-03 NA NA
-k_JSE76 3.868e-03 NA NA
-f_cyan_free_to_JCZ38 6.143e-01 NA NA
-f_cyan_free_to_J9Z38 2.389e-01 NA NA
+cyan_free_0 1.006e+02 NA NA
+k_cyan_free 4.387e-02 NA NA
+k_cyan_free_bound 4.208e-02 NA NA
+k_cyan_bound_free 2.573e-02 NA NA
+k_JCZ38 3.103e-02 NA NA
+k_J9Z38 6.294e-03 NA NA
+k_JSE76 3.914e-03 NA NA
+f_cyan_free_to_JCZ38 6.188e-01 NA NA
+f_cyan_free_to_J9Z38 2.412e-01 NA NA
f_JCZ38_to_JSE76 1.000e+00 NA NA
Estimated Eigenvalues of SFORB model(s):
cyan_b1 cyan_b2 cyan_g
-0.10161 0.01123 0.36636
+0.10044 0.01124 0.36580
Resulting formation fractions:
- ff
-cyan_free_JCZ38 6.143e-01
-cyan_free_J9Z38 2.389e-01
-cyan_free_sink 1.468e-01
-cyan_free 1.000e+00
-JCZ38_JSE76 1.000e+00
-JCZ38_sink 9.763e-12
+ ff
+cyan_free_JCZ38 0.6188
+cyan_free_J9Z38 0.2412
+cyan_free_sink 0.1400
+cyan_free 1.0000
+JCZ38_JSE76 1.0000
+JCZ38_sink 0.0000
Estimated disappearance times:
DT50 DT90 DT50back DT50_cyan_b1 DT50_cyan_b2
-cyan 25.91 164.4 49.49 6.822 61.72
-JCZ38 22.46 74.6 NA NA NA
-J9Z38 112.37 373.3 NA NA NA
-JSE76 179.22 595.4 NA NA NA
+cyan 26.05 164.4 49.48 6.901 61.67
+JCZ38 22.34 74.2 NA NA NA
+J9Z38 110.14 365.9 NA NA NA
+JSE76 177.11 588.3 NA NA NA
</code></pre>
<p></p>
@@ -3382,10 +3368,10 @@ Hierarchical HS path 1 fit with constant variance
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 07:46:30 2023
-Date of summary: Thu Apr 20 20:01:30 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:28:57 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan/dt = - ifelse(time &lt;= tb, k1, k2) * cyan
@@ -3400,27 +3386,27 @@ Data:
Model predictions using solution type deSolve
-Fitted in 525.846 s
+Fitted in 485.304 s
Using 300, 100 iterations and 10 chains
Variance model: Constant variance
Starting values for degradation parameters:
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
- 102.8738 -3.4490 -4.9348 -5.5989 0.6469
+ 102.8845 -3.4495 -4.9355 -5.6040 0.6468
f_cyan_ilr_2 f_JCZ38_qlogis log_k1 log_k2 log_tb
- 1.2854 9.7193 -2.9084 -4.1810 1.7813
+ 1.2396 9.7220 -2.9079 -4.1810 1.7813
Fixed degradation parameter values:
None
Starting values for random effects (square root of initial entries in omega):
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
-cyan_0 5.409 0.00 0.00 0.000 0.0000
+cyan_0 5.406 0.00 0.00 0.000 0.0000
log_k_JCZ38 0.000 2.33 0.00 0.000 0.0000
log_k_J9Z38 0.000 0.00 1.59 0.000 0.0000
-log_k_JSE76 0.000 0.00 0.00 1.006 0.0000
-f_cyan_ilr_1 0.000 0.00 0.00 0.000 0.6371
+log_k_JSE76 0.000 0.00 0.00 1.013 0.0000
+f_cyan_ilr_1 0.000 0.00 0.00 0.000 0.6367
f_cyan_ilr_2 0.000 0.00 0.00 0.000 0.0000
f_JCZ38_qlogis 0.000 0.00 0.00 0.000 0.0000
log_k1 0.000 0.00 0.00 0.000 0.0000
@@ -3432,11 +3418,11 @@ log_k_JCZ38 0.000 0.00 0.0000 0.0000 0.0000
log_k_J9Z38 0.000 0.00 0.0000 0.0000 0.0000
log_k_JSE76 0.000 0.00 0.0000 0.0000 0.0000
f_cyan_ilr_1 0.000 0.00 0.0000 0.0000 0.0000
-f_cyan_ilr_2 2.167 0.00 0.0000 0.0000 0.0000
-f_JCZ38_qlogis 0.000 10.22 0.0000 0.0000 0.0000
-log_k1 0.000 0.00 0.7003 0.0000 0.0000
+f_cyan_ilr_2 2.038 0.00 0.0000 0.0000 0.0000
+f_JCZ38_qlogis 0.000 10.33 0.0000 0.0000 0.0000
+log_k1 0.000 0.00 0.7006 0.0000 0.0000
log_k2 0.000 0.00 0.0000 0.8928 0.0000
-log_tb 0.000 0.00 0.0000 0.0000 0.6774
+log_tb 0.000 0.00 0.0000 0.0000 0.6773
Starting values for error model parameters:
a.1
@@ -3446,220 +3432,76 @@ Results:
Likelihood computed by importance sampling
AIC BIC logLik
- 2427 2420 -1194
-
-Optimised parameters:
- est. lower upper
-cyan_0 101.84849 NA NA
-log_k_JCZ38 -3.47365 NA NA
-log_k_J9Z38 -5.10562 NA NA
-log_k_JSE76 -5.60318 NA NA
-f_cyan_ilr_1 0.66127 NA NA
-f_cyan_ilr_2 0.60283 NA NA
-f_JCZ38_qlogis 45.06408 NA NA
-log_k1 -3.10124 NA NA
-log_k2 -4.39028 NA NA
-log_tb 2.32256 NA NA
-a.1 3.32683 NA NA
-SD.log_k_JCZ38 1.41427 NA NA
-SD.log_k_J9Z38 0.54767 NA NA
-SD.log_k_JSE76 0.62147 NA NA
-SD.f_cyan_ilr_1 0.30189 NA NA
-SD.f_cyan_ilr_2 0.34960 NA NA
-SD.f_JCZ38_qlogis 0.04644 NA NA
-SD.log_k1 0.39534 NA NA
-SD.log_k2 0.43468 NA NA
-SD.log_tb 0.60781 NA NA
-
-Correlation is not available
-
-Random effects:
- est. lower upper
-SD.log_k_JCZ38 1.41427 NA NA
-SD.log_k_J9Z38 0.54767 NA NA
-SD.log_k_JSE76 0.62147 NA NA
-SD.f_cyan_ilr_1 0.30189 NA NA
-SD.f_cyan_ilr_2 0.34960 NA NA
-SD.f_JCZ38_qlogis 0.04644 NA NA
-SD.log_k1 0.39534 NA NA
-SD.log_k2 0.43468 NA NA
-SD.log_tb 0.60781 NA NA
-
-Variance model:
- est. lower upper
-a.1 3.327 NA NA
-
-Backtransformed parameters:
- est. lower upper
-cyan_0 1.018e+02 NA NA
-k_JCZ38 3.100e-02 NA NA
-k_J9Z38 6.063e-03 NA NA
-k_JSE76 3.686e-03 NA NA
-f_cyan_to_JCZ38 5.910e-01 NA NA
-f_cyan_to_J9Z38 2.320e-01 NA NA
-f_JCZ38_to_JSE76 1.000e+00 NA NA
-k1 4.499e-02 NA NA
-k2 1.240e-02 NA NA
-tb 1.020e+01 NA NA
-
-Resulting formation fractions:
- ff
-cyan_JCZ38 0.591
-cyan_J9Z38 0.232
-cyan_sink 0.177
-JCZ38_JSE76 1.000
-JCZ38_sink 0.000
-
-Estimated disappearance times:
- DT50 DT90 DT50back DT50_k1 DT50_k2
-cyan 29.09 158.91 47.84 15.41 55.91
-JCZ38 22.36 74.27 NA NA NA
-J9Z38 114.33 379.80 NA NA NA
-JSE76 188.04 624.66 NA NA NA
-
-</code></pre>
-<p></p>
-<caption>
-Hierarchical HS path 1 fit with two-component error
-</caption>
-<pre><code>
-saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 07:46:19 2023
-Date of summary: Thu Apr 20 20:01:30 2023
-
-Equations:
-d_cyan/dt = - ifelse(time &lt;= tb, k1, k2) * cyan
-d_JCZ38/dt = + f_cyan_to_JCZ38 * ifelse(time &lt;= tb, k1, k2) * cyan -
- k_JCZ38 * JCZ38
-d_J9Z38/dt = + f_cyan_to_J9Z38 * ifelse(time &lt;= tb, k1, k2) * cyan -
- k_J9Z38 * J9Z38
-d_JSE76/dt = + f_JCZ38_to_JSE76 * k_JCZ38 * JCZ38 - k_JSE76 * JSE76
-
-Data:
-433 observations of 4 variable(s) grouped in 5 datasets
-
-Model predictions using solution type deSolve
-
-Fitted in 514.968 s
-Using 300, 100 iterations and 10 chains
-
-Variance model: Two-component variance function
-
-Starting values for degradation parameters:
- cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
- 101.168 -3.358 -4.941 -5.794 0.676
- f_cyan_ilr_2 f_JCZ38_qlogis log_k1 log_k2 log_tb
- 5.740 13.863 -3.147 -4.262 2.173
-
-Fixed degradation parameter values:
-None
-
-Starting values for random effects (square root of initial entries in omega):
- cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
-cyan_0 5.79 0.000 0.000 0.000 0.0000
-log_k_JCZ38 0.00 2.271 0.000 0.000 0.0000
-log_k_J9Z38 0.00 0.000 1.614 0.000 0.0000
-log_k_JSE76 0.00 0.000 0.000 1.264 0.0000
-f_cyan_ilr_1 0.00 0.000 0.000 0.000 0.6761
-f_cyan_ilr_2 0.00 0.000 0.000 0.000 0.0000
-f_JCZ38_qlogis 0.00 0.000 0.000 0.000 0.0000
-log_k1 0.00 0.000 0.000 0.000 0.0000
-log_k2 0.00 0.000 0.000 0.000 0.0000
-log_tb 0.00 0.000 0.000 0.000 0.0000
- f_cyan_ilr_2 f_JCZ38_qlogis log_k1 log_k2 log_tb
-cyan_0 0.000 0.00 0.0000 0.0000 0.000
-log_k_JCZ38 0.000 0.00 0.0000 0.0000 0.000
-log_k_J9Z38 0.000 0.00 0.0000 0.0000 0.000
-log_k_JSE76 0.000 0.00 0.0000 0.0000 0.000
-f_cyan_ilr_1 0.000 0.00 0.0000 0.0000 0.000
-f_cyan_ilr_2 9.572 0.00 0.0000 0.0000 0.000
-f_JCZ38_qlogis 0.000 19.19 0.0000 0.0000 0.000
-log_k1 0.000 0.00 0.8705 0.0000 0.000
-log_k2 0.000 0.00 0.0000 0.9288 0.000
-log_tb 0.000 0.00 0.0000 0.0000 1.065
-
-Starting values for error model parameters:
-a.1 b.1
- 1 1
-
-Results:
-
-Likelihood computed by importance sampling
- AIC BIC logLik
- 2422 2414 -1190
+ 2427 2419 -1194
Optimised parameters:
- est. lower upper
-cyan_0 100.9521 NA NA
-log_k_JCZ38 -3.4629 NA NA
-log_k_J9Z38 -5.0346 NA NA
-log_k_JSE76 -5.5722 NA NA
-f_cyan_ilr_1 0.6560 NA NA
-f_cyan_ilr_2 0.7983 NA NA
-f_JCZ38_qlogis 42.7949 NA NA
-log_k1 -3.1721 NA NA
-log_k2 -4.4039 NA NA
-log_tb 2.3994 NA NA
-a.1 3.0586 NA NA
-b.1 0.0380 NA NA
-SD.log_k_JCZ38 1.3754 NA NA
-SD.log_k_J9Z38 0.6703 NA NA
-SD.log_k_JSE76 0.5876 NA NA
-SD.f_cyan_ilr_1 0.3272 NA NA
-SD.f_cyan_ilr_2 0.5300 NA NA
-SD.f_JCZ38_qlogis 6.4465 NA NA
-SD.log_k1 0.4135 NA NA
-SD.log_k2 0.4182 NA NA
-SD.log_tb 0.6035 NA NA
+ est. lower upper
+cyan_0 101.9660 1.005e+02 1.035e+02
+log_k_JCZ38 -3.4698 -4.716e+00 -2.224e+00
+log_k_J9Z38 -5.0947 -5.740e+00 -4.450e+00
+log_k_JSE76 -5.5977 -6.321e+00 -4.875e+00
+f_cyan_ilr_1 0.6595 3.734e-01 9.456e-01
+f_cyan_ilr_2 0.5905 1.664e-01 1.015e+00
+f_JCZ38_qlogis 25.8627 -4.224e+05 4.225e+05
+log_k1 -3.0884 -3.453e+00 -2.723e+00
+log_k2 -4.3877 -4.778e+00 -3.998e+00
+log_tb 2.3057 1.715e+00 2.896e+00
+a.1 3.3228 NA NA
+SD.log_k_JCZ38 1.4071 NA NA
+SD.log_k_J9Z38 0.5774 NA NA
+SD.log_k_JSE76 0.6214 NA NA
+SD.f_cyan_ilr_1 0.3058 NA NA
+SD.f_cyan_ilr_2 0.3470 NA NA
+SD.f_JCZ38_qlogis 0.0644 NA NA
+SD.log_k1 0.3994 NA NA
+SD.log_k2 0.4373 NA NA
+SD.log_tb 0.6419 NA NA
Correlation is not available
Random effects:
est. lower upper
-SD.log_k_JCZ38 1.3754 NA NA
-SD.log_k_J9Z38 0.6703 NA NA
-SD.log_k_JSE76 0.5876 NA NA
-SD.f_cyan_ilr_1 0.3272 NA NA
-SD.f_cyan_ilr_2 0.5300 NA NA
-SD.f_JCZ38_qlogis 6.4465 NA NA
-SD.log_k1 0.4135 NA NA
-SD.log_k2 0.4182 NA NA
-SD.log_tb 0.6035 NA NA
+SD.log_k_JCZ38 1.4071 NA NA
+SD.log_k_J9Z38 0.5774 NA NA
+SD.log_k_JSE76 0.6214 NA NA
+SD.f_cyan_ilr_1 0.3058 NA NA
+SD.f_cyan_ilr_2 0.3470 NA NA
+SD.f_JCZ38_qlogis 0.0644 NA NA
+SD.log_k1 0.3994 NA NA
+SD.log_k2 0.4373 NA NA
+SD.log_tb 0.6419 NA NA
Variance model:
est. lower upper
-a.1 3.059 NA NA
-b.1 0.038 NA NA
+a.1 3.323 NA NA
Backtransformed parameters:
- est. lower upper
-cyan_0 1.010e+02 NA NA
-k_JCZ38 3.134e-02 NA NA
-k_J9Z38 6.509e-03 NA NA
-k_JSE76 3.802e-03 NA NA
-f_cyan_to_JCZ38 6.127e-01 NA NA
-f_cyan_to_J9Z38 2.423e-01 NA NA
-f_JCZ38_to_JSE76 1.000e+00 NA NA
-k1 4.191e-02 NA NA
-k2 1.223e-02 NA NA
-tb 1.102e+01 NA NA
+ est. lower upper
+cyan_0 1.020e+02 1.005e+02 1.035e+02
+k_JCZ38 3.112e-02 8.951e-03 1.082e-01
+k_J9Z38 6.129e-03 3.216e-03 1.168e-02
+k_JSE76 3.706e-03 1.798e-03 7.639e-03
+f_cyan_to_JCZ38 5.890e-01 NA NA
+f_cyan_to_J9Z38 2.318e-01 NA NA
+f_JCZ38_to_JSE76 1.000e+00 0.000e+00 1.000e+00
+k1 4.558e-02 3.164e-02 6.565e-02
+k2 1.243e-02 8.417e-03 1.835e-02
+tb 1.003e+01 5.557e+00 1.811e+01
Resulting formation fractions:
- ff
-cyan_JCZ38 0.6127
-cyan_J9Z38 0.2423
-cyan_sink 0.1449
-JCZ38_JSE76 1.0000
-JCZ38_sink 0.0000
+ ff
+cyan_JCZ38 5.890e-01
+cyan_J9Z38 2.318e-01
+cyan_sink 1.793e-01
+JCZ38_JSE76 1.000e+00
+JCZ38_sink 5.861e-12
Estimated disappearance times:
DT50 DT90 DT50back DT50_k1 DT50_k2
-cyan 29.94 161.54 48.63 16.54 56.68
-JCZ38 22.12 73.47 NA NA NA
-J9Z38 106.50 353.77 NA NA NA
-JSE76 182.30 605.60 NA NA NA
+cyan 29.02 158.51 47.72 15.21 55.77
+JCZ38 22.27 73.98 NA NA NA
+J9Z38 113.09 375.69 NA NA NA
+JSE76 187.01 621.23 NA NA NA
</code></pre>
<p></p>
@@ -3668,14 +3510,14 @@ JSE76 182.30 605.60 NA NA NA
<h4 id="pathway-2">Pathway 2<a class="anchor" aria-label="anchor" href="#pathway-2"></a>
</h4>
<caption>
-Hierarchical FOMC path 2 fit with constant variance
+Hierarchical FOMC path 2 fit with two-component error
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 07:58:00 2023
-Date of summary: Thu Apr 20 20:01:30 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:39:30 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan/dt = - (alpha/beta) * 1/((time/beta) + 1) * cyan
@@ -3690,88 +3532,89 @@ Data:
Model predictions using solution type deSolve
-Fitted in 522.351 s
+Fitted in 474.942 s
Using 300, 100 iterations and 10 chains
-Variance model: Constant variance
+Variance model: Two-component variance function
Starting values for degradation parameters:
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
- 101.8173 -1.8998 -5.1449 -2.5415 0.6705
+ 102.4477 -1.8631 -5.1087 -2.5114 0.6826
f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis log_alpha log_beta
- 4.4669 16.1281 13.3327 -0.2314 2.8738
+ 4.7944 15.9616 13.1566 -0.1564 2.9781
Fixed degradation parameter values:
None
Starting values for random effects (square root of initial entries in omega):
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
-cyan_0 5.742 0.000 0.000 0.00 0.0000
-log_k_JCZ38 0.000 1.402 0.000 0.00 0.0000
-log_k_J9Z38 0.000 0.000 1.718 0.00 0.0000
-log_k_JSE76 0.000 0.000 0.000 3.57 0.0000
-f_cyan_ilr_1 0.000 0.000 0.000 0.00 0.5926
-f_cyan_ilr_2 0.000 0.000 0.000 0.00 0.0000
-f_JCZ38_qlogis 0.000 0.000 0.000 0.00 0.0000
-f_JSE76_qlogis 0.000 0.000 0.000 0.00 0.0000
-log_alpha 0.000 0.000 0.000 0.00 0.0000
-log_beta 0.000 0.000 0.000 0.00 0.0000
+cyan_0 7.701 0.000 0.000 0.000 0.0000
+log_k_JCZ38 0.000 1.448 0.000 0.000 0.0000
+log_k_J9Z38 0.000 0.000 1.724 0.000 0.0000
+log_k_JSE76 0.000 0.000 0.000 3.659 0.0000
+f_cyan_ilr_1 0.000 0.000 0.000 0.000 0.6356
+f_cyan_ilr_2 0.000 0.000 0.000 0.000 0.0000
+f_JCZ38_qlogis 0.000 0.000 0.000 0.000 0.0000
+f_JSE76_qlogis 0.000 0.000 0.000 0.000 0.0000
+log_alpha 0.000 0.000 0.000 0.000 0.0000
+log_beta 0.000 0.000 0.000 0.000 0.0000
f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis log_alpha log_beta
cyan_0 0.00 0.00 0.00 0.0000 0.0000
log_k_JCZ38 0.00 0.00 0.00 0.0000 0.0000
log_k_J9Z38 0.00 0.00 0.00 0.0000 0.0000
log_k_JSE76 0.00 0.00 0.00 0.0000 0.0000
f_cyan_ilr_1 0.00 0.00 0.00 0.0000 0.0000
-f_cyan_ilr_2 10.56 0.00 0.00 0.0000 0.0000
-f_JCZ38_qlogis 0.00 12.04 0.00 0.0000 0.0000
-f_JSE76_qlogis 0.00 0.00 15.26 0.0000 0.0000
-log_alpha 0.00 0.00 0.00 0.4708 0.0000
-log_beta 0.00 0.00 0.00 0.0000 0.4432
+f_cyan_ilr_2 10.32 0.00 0.00 0.0000 0.0000
+f_JCZ38_qlogis 0.00 12.23 0.00 0.0000 0.0000
+f_JSE76_qlogis 0.00 0.00 14.99 0.0000 0.0000
+log_alpha 0.00 0.00 0.00 0.3924 0.0000
+log_beta 0.00 0.00 0.00 0.0000 0.5639
Starting values for error model parameters:
-a.1
- 1
+a.1 b.1
+ 1 1
Results:
Likelihood computed by importance sampling
AIC BIC logLik
- 2308 2301 -1134
+ 2249 2241 -1104
Optimised parameters:
- est. lower upper
-cyan_0 101.9586 99.22024 104.69700
-log_k_JCZ38 -2.4861 -3.17661 -1.79560
-log_k_J9Z38 -5.3926 -6.08842 -4.69684
-log_k_JSE76 -3.1193 -4.12904 -2.10962
-f_cyan_ilr_1 0.7368 0.42085 1.05276
-f_cyan_ilr_2 0.6196 0.06052 1.17861
-f_JCZ38_qlogis 4.8970 -4.68003 14.47398
-f_JSE76_qlogis 4.4066 -1.02087 9.83398
-log_alpha -0.3021 -0.68264 0.07838
-log_beta 2.7438 2.57970 2.90786
-a.1 2.9008 2.69920 3.10245
-SD.cyan_0 2.7081 0.64216 4.77401
-SD.log_k_JCZ38 0.7043 0.19951 1.20907
-SD.log_k_J9Z38 0.6248 0.05790 1.19180
-SD.log_k_JSE76 1.0750 0.33157 1.81839
-SD.f_cyan_ilr_1 0.3429 0.11688 0.56892
-SD.f_cyan_ilr_2 0.4774 0.09381 0.86097
-SD.f_JCZ38_qlogis 1.5565 -7.83970 10.95279
-SD.f_JSE76_qlogis 1.6871 -1.25577 4.63000
-SD.log_alpha 0.4216 0.15913 0.68405
+ est. lower upper
+cyan_0 101.55265 9.920e+01 103.90593
+log_k_JCZ38 -2.32302 -2.832e+00 -1.81416
+log_k_J9Z38 -5.13082 -5.942e+00 -4.31990
+log_k_JSE76 -3.01756 -4.262e+00 -1.77360
+f_cyan_ilr_1 0.70850 3.657e-01 1.05135
+f_cyan_ilr_2 0.95775 2.612e-01 1.65432
+f_JCZ38_qlogis 3.86105 9.248e-01 6.79733
+f_JSE76_qlogis 7.51583 -1.120e+02 127.03921
+log_alpha -0.15308 -4.508e-01 0.14462
+log_beta 2.99165 2.711e+00 3.27202
+a.1 2.04034 1.811e+00 2.26968
+b.1 0.06924 5.745e-02 0.08104
+SD.log_k_JCZ38 0.50818 1.390e-01 0.87736
+SD.log_k_J9Z38 0.86597 2.652e-01 1.46671
+SD.log_k_JSE76 1.38092 4.864e-01 2.27541
+SD.f_cyan_ilr_1 0.38204 1.354e-01 0.62864
+SD.f_cyan_ilr_2 0.55129 7.198e-02 1.03060
+SD.f_JCZ38_qlogis 1.88457 1.710e-02 3.75205
+SD.f_JSE76_qlogis 2.64018 -2.450e+03 2455.27887
+SD.log_alpha 0.31860 1.047e-01 0.53249
+SD.log_beta 0.24195 1.273e-02 0.47117
Correlation:
cyan_0 l__JCZ3 l__J9Z3 l__JSE7 f_cy__1 f_cy__2 f_JCZ38 f_JSE76
-log_k_JCZ38 -0.0167
-log_k_J9Z38 -0.0307 0.0057
-log_k_JSE76 -0.0032 0.1358 0.0009
-f_cyan_ilr_1 -0.0087 0.0206 -0.1158 -0.0009
-f_cyan_ilr_2 -0.1598 0.0690 0.1770 0.0002 -0.0007
-f_JCZ38_qlogis 0.0966 -0.1132 -0.0440 0.0182 -0.1385 -0.4583
-f_JSE76_qlogis -0.0647 0.1157 0.0333 -0.0026 0.1110 0.3620 -0.8586
-log_alpha -0.0389 0.0113 0.0209 0.0021 0.0041 0.0451 -0.0605 0.0412
-log_beta -0.2508 0.0533 0.0977 0.0098 0.0220 0.2741 -0.2934 0.1999
+log_k_JCZ38 -0.0235
+log_k_J9Z38 -0.0442 0.0047
+log_k_JSE76 -0.0023 0.0966 0.0006
+f_cyan_ilr_1 -0.0032 0.0070 -0.0536 -0.0001
+f_cyan_ilr_2 -0.5189 0.0452 0.1152 0.0013 -0.0304
+f_JCZ38_qlogis 0.1088 -0.0848 -0.0240 0.0040 -0.0384 -0.2303
+f_JSE76_qlogis -0.0545 0.1315 0.0195 0.0020 0.0252 0.1737 -0.5939
+log_alpha -0.0445 0.0056 0.0261 0.0019 -0.0055 0.0586 -0.0239 -0.0284
+log_beta -0.2388 0.0163 0.0566 0.0040 -0.0078 0.2183 -0.0714 -0.0332
log_lph
log_k_JCZ38
log_k_J9Z38
@@ -3781,199 +3624,54 @@ f_cyan_ilr_2
f_JCZ38_qlogis
f_JSE76_qlogis
log_alpha
-log_beta 0.2281
+log_beta 0.2135
Random effects:
- est. lower upper
-SD.cyan_0 2.7081 0.64216 4.7740
-SD.log_k_JCZ38 0.7043 0.19951 1.2091
-SD.log_k_J9Z38 0.6248 0.05790 1.1918
-SD.log_k_JSE76 1.0750 0.33157 1.8184
-SD.f_cyan_ilr_1 0.3429 0.11688 0.5689
-SD.f_cyan_ilr_2 0.4774 0.09381 0.8610
-SD.f_JCZ38_qlogis 1.5565 -7.83970 10.9528
-SD.f_JSE76_qlogis 1.6871 -1.25577 4.6300
-SD.log_alpha 0.4216 0.15913 0.6840
-
-Variance model:
- est. lower upper
-a.1 2.901 2.699 3.102
-
-Backtransformed parameters:
- est. lower upper
-cyan_0 101.95862 99.220240 1.047e+02
-k_JCZ38 0.08323 0.041727 1.660e-01
-k_J9Z38 0.00455 0.002269 9.124e-03
-k_JSE76 0.04419 0.016098 1.213e-01
-f_cyan_to_JCZ38 0.61318 NA NA
-f_cyan_to_J9Z38 0.21630 NA NA
-f_JCZ38_to_JSE76 0.99259 0.009193 1.000e+00
-f_JSE76_to_JCZ38 0.98795 0.264857 9.999e-01
-alpha 0.73924 0.505281 1.082e+00
-beta 15.54568 13.193194 1.832e+01
-
-Resulting formation fractions:
- ff
-cyan_JCZ38 0.613182
-cyan_J9Z38 0.216298
-cyan_sink 0.170519
-JCZ38_JSE76 0.992586
-JCZ38_sink 0.007414
-JSE76_JCZ38 0.987950
-JSE76_sink 0.012050
-
-Estimated disappearance times:
- DT50 DT90 DT50back
-cyan 24.157 334.68 100.7
-JCZ38 8.328 27.66 NA
-J9Z38 152.341 506.06 NA
-JSE76 15.687 52.11 NA
-
-</code></pre>
-<p></p>
-<caption>
-Hierarchical FOMC path 2 fit with two-component error
-</caption>
-<pre><code>
-saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 07:57:52 2023
-Date of summary: Thu Apr 20 20:01:30 2023
-
-Equations:
-d_cyan/dt = - (alpha/beta) * 1/((time/beta) + 1) * cyan
-d_JCZ38/dt = + f_cyan_to_JCZ38 * (alpha/beta) * 1/((time/beta) + 1) *
- cyan - k_JCZ38 * JCZ38 + f_JSE76_to_JCZ38 * k_JSE76 * JSE76
-d_J9Z38/dt = + f_cyan_to_J9Z38 * (alpha/beta) * 1/((time/beta) + 1) *
- cyan - k_J9Z38 * J9Z38
-d_JSE76/dt = + f_JCZ38_to_JSE76 * k_JCZ38 * JCZ38 - k_JSE76 * JSE76
-
-Data:
-433 observations of 4 variable(s) grouped in 5 datasets
-
-Model predictions using solution type deSolve
-
-Fitted in 514.301 s
-Using 300, 100 iterations and 10 chains
-
-Variance model: Two-component variance function
-
-Starting values for degradation parameters:
- cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
- 101.9028 -1.9055 -5.0249 -2.5646 0.6807
- f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis log_alpha log_beta
- 4.8883 16.0676 9.3923 -0.1346 3.0364
-
-Fixed degradation parameter values:
-None
-
-Starting values for random effects (square root of initial entries in omega):
- cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
-cyan_0 6.321 0.000 0.000 0.000 0.0000
-log_k_JCZ38 0.000 1.392 0.000 0.000 0.0000
-log_k_J9Z38 0.000 0.000 1.561 0.000 0.0000
-log_k_JSE76 0.000 0.000 0.000 3.614 0.0000
-f_cyan_ilr_1 0.000 0.000 0.000 0.000 0.6339
-f_cyan_ilr_2 0.000 0.000 0.000 0.000 0.0000
-f_JCZ38_qlogis 0.000 0.000 0.000 0.000 0.0000
-f_JSE76_qlogis 0.000 0.000 0.000 0.000 0.0000
-log_alpha 0.000 0.000 0.000 0.000 0.0000
-log_beta 0.000 0.000 0.000 0.000 0.0000
- f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis log_alpha log_beta
-cyan_0 0.00 0.00 0.00 0.0000 0.0000
-log_k_JCZ38 0.00 0.00 0.00 0.0000 0.0000
-log_k_J9Z38 0.00 0.00 0.00 0.0000 0.0000
-log_k_JSE76 0.00 0.00 0.00 0.0000 0.0000
-f_cyan_ilr_1 0.00 0.00 0.00 0.0000 0.0000
-f_cyan_ilr_2 10.41 0.00 0.00 0.0000 0.0000
-f_JCZ38_qlogis 0.00 12.24 0.00 0.0000 0.0000
-f_JSE76_qlogis 0.00 0.00 15.13 0.0000 0.0000
-log_alpha 0.00 0.00 0.00 0.3701 0.0000
-log_beta 0.00 0.00 0.00 0.0000 0.5662
-
-Starting values for error model parameters:
-a.1 b.1
- 1 1
-
-Results:
-
-Likelihood computed by importance sampling
- AIC BIC logLik
- 2248 2240 -1103
-
-Optimised parameters:
- est. lower upper
-cyan_0 101.55545 9.920e+01 1.039e+02
-log_k_JCZ38 -2.37354 -2.928e+00 -1.819e+00
-log_k_J9Z38 -5.14736 -5.960e+00 -4.335e+00
-log_k_JSE76 -3.07802 -4.243e+00 -1.913e+00
-f_cyan_ilr_1 0.71263 3.655e-01 1.060e+00
-f_cyan_ilr_2 0.95202 2.701e-01 1.634e+00
-f_JCZ38_qlogis 3.58473 1.251e+00 5.919e+00
-f_JSE76_qlogis 19.03623 -1.037e+07 1.037e+07
-log_alpha -0.15297 -4.490e-01 1.431e-01
-log_beta 2.99230 2.706e+00 3.278e+00
-a.1 2.04816 NA NA
-b.1 0.06886 NA NA
-SD.log_k_JCZ38 0.56174 NA NA
-SD.log_k_J9Z38 0.86509 NA NA
-SD.log_k_JSE76 1.28450 NA NA
-SD.f_cyan_ilr_1 0.38705 NA NA
-SD.f_cyan_ilr_2 0.54153 NA NA
-SD.f_JCZ38_qlogis 1.65311 NA NA
-SD.f_JSE76_qlogis 7.51468 NA NA
-SD.log_alpha 0.31586 NA NA
-SD.log_beta 0.24696 NA NA
-
-Correlation is not available
-
-Random effects:
- est. lower upper
-SD.log_k_JCZ38 0.5617 NA NA
-SD.log_k_J9Z38 0.8651 NA NA
-SD.log_k_JSE76 1.2845 NA NA
-SD.f_cyan_ilr_1 0.3870 NA NA
-SD.f_cyan_ilr_2 0.5415 NA NA
-SD.f_JCZ38_qlogis 1.6531 NA NA
-SD.f_JSE76_qlogis 7.5147 NA NA
-SD.log_alpha 0.3159 NA NA
-SD.log_beta 0.2470 NA NA
+ est. lower upper
+SD.log_k_JCZ38 0.5082 1.390e-01 0.8774
+SD.log_k_J9Z38 0.8660 2.652e-01 1.4667
+SD.log_k_JSE76 1.3809 4.864e-01 2.2754
+SD.f_cyan_ilr_1 0.3820 1.354e-01 0.6286
+SD.f_cyan_ilr_2 0.5513 7.198e-02 1.0306
+SD.f_JCZ38_qlogis 1.8846 1.710e-02 3.7520
+SD.f_JSE76_qlogis 2.6402 -2.450e+03 2455.2789
+SD.log_alpha 0.3186 1.047e-01 0.5325
+SD.log_beta 0.2420 1.273e-02 0.4712
Variance model:
- est. lower upper
-a.1 2.04816 NA NA
-b.1 0.06886 NA NA
+ est. lower upper
+a.1 2.04034 1.81101 2.26968
+b.1 0.06924 0.05745 0.08104
Backtransformed parameters:
- est. lower upper
-cyan_0 1.016e+02 99.20301 103.9079
-k_JCZ38 9.315e-02 0.05349 0.1622
-k_J9Z38 5.815e-03 0.00258 0.0131
-k_JSE76 4.605e-02 0.01436 0.1477
-f_cyan_to_JCZ38 6.438e-01 NA NA
-f_cyan_to_J9Z38 2.350e-01 NA NA
-f_JCZ38_to_JSE76 9.730e-01 0.77745 0.9973
-f_JSE76_to_JCZ38 1.000e+00 0.00000 1.0000
-alpha 8.582e-01 0.63824 1.1538
-beta 1.993e+01 14.97621 26.5262
+ est. lower upper
+cyan_0 1.016e+02 9.920e+01 103.9059
+k_JCZ38 9.798e-02 5.890e-02 0.1630
+k_J9Z38 5.912e-03 2.627e-03 0.0133
+k_JSE76 4.892e-02 1.410e-02 0.1697
+f_cyan_to_JCZ38 6.432e-01 NA NA
+f_cyan_to_J9Z38 2.362e-01 NA NA
+f_JCZ38_to_JSE76 9.794e-01 7.160e-01 0.9989
+f_JSE76_to_JCZ38 9.995e-01 2.268e-49 1.0000
+alpha 8.581e-01 6.371e-01 1.1556
+beta 1.992e+01 1.505e+01 26.3646
Resulting formation fractions:
ff
-cyan_JCZ38 6.438e-01
-cyan_J9Z38 2.350e-01
-cyan_sink 1.212e-01
-JCZ38_JSE76 9.730e-01
-JCZ38_sink 2.700e-02
-JSE76_JCZ38 1.000e+00
-JSE76_sink 5.403e-09
+cyan_JCZ38 0.6432301
+cyan_J9Z38 0.2361657
+cyan_sink 0.1206042
+JCZ38_JSE76 0.9793879
+JCZ38_sink 0.0206121
+JSE76_JCZ38 0.9994559
+JSE76_sink 0.0005441
Estimated disappearance times:
DT50 DT90 DT50back
-cyan 24.771 271.70 81.79
-JCZ38 7.441 24.72 NA
-J9Z38 119.205 395.99 NA
-JSE76 15.052 50.00 NA
+cyan 24.759 271.61 81.76
+JCZ38 7.075 23.50 NA
+J9Z38 117.249 389.49 NA
+JSE76 14.169 47.07 NA
</code></pre>
<p></p>
@@ -3982,10 +3680,10 @@ Hierarchical DFOP path 2 fit with constant variance
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 07:58:43 2023
-Date of summary: Thu Apr 20 20:01:30 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:40:29 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *
@@ -4005,25 +3703,25 @@ Data:
Model predictions using solution type deSolve
-Fitted in 565.562 s
+Fitted in 533.901 s
Using 300, 100 iterations and 10 chains
Variance model: Constant variance
Starting values for degradation parameters:
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
- 102.4358 -2.3107 -5.3123 -3.7120 0.6753
+ 102.4380 -2.3107 -5.3123 -3.7120 0.6757
f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis log_k1 log_k2
- 1.1462 12.4095 12.3630 -1.9317 -4.4557
+ 1.1439 13.1194 12.3492 -1.9317 -4.4557
g_qlogis
- -0.5648
+ -0.5644
Fixed degradation parameter values:
None
Starting values for random effects (square root of initial entries in omega):
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
-cyan_0 4.594 0.0000 0.000 0.0 0.0000
+cyan_0 4.591 0.0000 0.000 0.0 0.0000
log_k_JCZ38 0.000 0.7966 0.000 0.0 0.0000
log_k_J9Z38 0.000 0.0000 1.561 0.0 0.0000
log_k_JSE76 0.000 0.0000 0.000 0.8 0.0000
@@ -4035,17 +3733,17 @@ log_k1 0.000 0.0000 0.000 0.0 0.0000
log_k2 0.000 0.0000 0.000 0.0 0.0000
g_qlogis 0.000 0.0000 0.000 0.0 0.0000
f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis log_k1 log_k2
-cyan_0 0.000 0.00 0.0 0.000 0.0000
-log_k_JCZ38 0.000 0.00 0.0 0.000 0.0000
-log_k_J9Z38 0.000 0.00 0.0 0.000 0.0000
-log_k_JSE76 0.000 0.00 0.0 0.000 0.0000
-f_cyan_ilr_1 0.000 0.00 0.0 0.000 0.0000
-f_cyan_ilr_2 1.797 0.00 0.0 0.000 0.0000
-f_JCZ38_qlogis 0.000 13.85 0.0 0.000 0.0000
-f_JSE76_qlogis 0.000 0.00 14.1 0.000 0.0000
-log_k1 0.000 0.00 0.0 1.106 0.0000
-log_k2 0.000 0.00 0.0 0.000 0.6141
-g_qlogis 0.000 0.00 0.0 0.000 0.0000
+cyan_0 0.000 0.00 0.00 0.000 0.0000
+log_k_JCZ38 0.000 0.00 0.00 0.000 0.0000
+log_k_J9Z38 0.000 0.00 0.00 0.000 0.0000
+log_k_JSE76 0.000 0.00 0.00 0.000 0.0000
+f_cyan_ilr_1 0.000 0.00 0.00 0.000 0.0000
+f_cyan_ilr_2 1.797 0.00 0.00 0.000 0.0000
+f_JCZ38_qlogis 0.000 13.86 0.00 0.000 0.0000
+f_JSE76_qlogis 0.000 0.00 13.91 0.000 0.0000
+log_k1 0.000 0.00 0.00 1.106 0.0000
+log_k2 0.000 0.00 0.00 0.000 0.6141
+g_qlogis 0.000 0.00 0.00 0.000 0.0000
g_qlogis
cyan_0 0.000
log_k_JCZ38 0.000
@@ -4067,45 +3765,45 @@ Results:
Likelihood computed by importance sampling
AIC BIC logLik
- 2290 2281 -1123
+ 2288 2280 -1122
Optimised parameters:
- est. lower upper
-cyan_0 102.6903 101.44420 103.9365
-log_k_JCZ38 -2.4018 -2.98058 -1.8230
-log_k_J9Z38 -5.1865 -5.92931 -4.4437
-log_k_JSE76 -3.0784 -4.25226 -1.9045
-f_cyan_ilr_1 0.7157 0.37625 1.0551
-f_cyan_ilr_2 0.7073 0.20136 1.2132
-f_JCZ38_qlogis 4.6797 0.43240 8.9269
-f_JSE76_qlogis 5.0080 -1.01380 11.0299
-log_k1 -1.9620 -2.62909 -1.2949
-log_k2 -4.4894 -4.94958 -4.0292
-g_qlogis -0.4658 -1.34443 0.4129
-a.1 2.7158 2.52576 2.9059
-SD.log_k_JCZ38 0.5818 0.15679 1.0067
-SD.log_k_J9Z38 0.7421 0.16751 1.3167
-SD.log_k_JSE76 1.2841 0.43247 2.1356
-SD.f_cyan_ilr_1 0.3748 0.13040 0.6192
-SD.f_cyan_ilr_2 0.4550 0.08396 0.8261
-SD.f_JCZ38_qlogis 2.0862 -0.73390 4.9062
-SD.f_JSE76_qlogis 1.9585 -3.14773 7.0647
-SD.log_k1 0.7389 0.25761 1.2201
-SD.log_k2 0.5132 0.18143 0.8450
-SD.g_qlogis 0.9870 0.35773 1.6164
+ est. lower upper
+cyan_0 102.7204 1.014e+02 1.040e+02
+log_k_JCZ38 -2.8925 -4.044e+00 -1.741e+00
+log_k_J9Z38 -5.1430 -5.828e+00 -4.457e+00
+log_k_JSE76 -3.5577 -4.174e+00 -2.941e+00
+f_cyan_ilr_1 0.6929 3.788e-01 1.007e+00
+f_cyan_ilr_2 0.6066 5.342e-02 1.160e+00
+f_JCZ38_qlogis 9.8071 -2.819e+03 2.838e+03
+f_JSE76_qlogis 2.2229 5.684e-01 3.877e+00
+log_k1 -1.9339 -2.609e+00 -1.258e+00
+log_k2 -4.4709 -4.935e+00 -4.007e+00
+g_qlogis -0.4987 -1.373e+00 3.757e-01
+a.1 2.7368 2.545e+00 2.928e+00
+SD.log_k_JCZ38 1.2747 4.577e-01 2.092e+00
+SD.log_k_J9Z38 0.6758 1.418e-01 1.210e+00
+SD.log_k_JSE76 0.5869 1.169e-01 1.057e+00
+SD.f_cyan_ilr_1 0.3392 1.161e-01 5.622e-01
+SD.f_cyan_ilr_2 0.4200 8.501e-02 7.550e-01
+SD.f_JCZ38_qlogis 0.8511 -1.137e+06 1.137e+06
+SD.f_JSE76_qlogis 0.3767 -5.238e-01 1.277e+00
+SD.log_k1 0.7475 2.601e-01 1.235e+00
+SD.log_k2 0.5179 1.837e-01 8.521e-01
+SD.g_qlogis 0.9817 3.553e-01 1.608e+00
Correlation:
cyan_0 l__JCZ3 l__J9Z3 l__JSE7 f_cy__1 f_cy__2 f_JCZ38 f_JSE76
-log_k_JCZ38 -0.0170
-log_k_J9Z38 -0.0457 0.0016
-log_k_JSE76 -0.0046 0.1183 0.0005
-f_cyan_ilr_1 0.0079 0.0072 -0.0909 0.0003
-f_cyan_ilr_2 -0.3114 0.0343 0.1542 0.0023 -0.0519
-f_JCZ38_qlogis 0.0777 -0.0601 -0.0152 0.0080 -0.0520 -0.2524
-f_JSE76_qlogis -0.0356 0.0817 0.0073 0.0051 0.0388 0.1959 -0.6236
-log_k1 0.0848 -0.0028 0.0010 -0.0010 -0.0014 -0.0245 0.0121 -0.0177
-log_k2 0.0274 -0.0001 0.0075 0.0000 -0.0023 -0.0060 0.0000 -0.0130
-g_qlogis 0.0159 0.0002 -0.0095 0.0002 0.0029 -0.0140 -0.0001 0.0149
+log_k_JCZ38 -0.0351
+log_k_J9Z38 -0.0541 0.0043
+log_k_JSE76 -0.0078 0.0900 -0.0014
+f_cyan_ilr_1 -0.0249 0.0268 -0.0962 0.0000
+f_cyan_ilr_2 -0.3560 0.0848 0.1545 -0.0022 0.0463
+f_JCZ38_qlogis 0.2005 -0.1226 -0.0347 0.0514 -0.1840 -0.5906
+f_JSE76_qlogis -0.1638 0.1307 0.0266 0.0001 0.1645 0.5181 -0.9297
+log_k1 0.0881 -0.0071 0.0005 -0.0070 -0.0064 -0.0346 0.0316 -0.0341
+log_k2 0.0238 -0.0003 0.0082 -0.0022 -0.0017 -0.0017 -0.0002 -0.0076
+g_qlogis 0.0198 -0.0002 -0.0109 0.0034 0.0017 -0.0176 0.0044 0.0051
log_k1 log_k2
log_k_JCZ38
log_k_J9Z38
@@ -4115,56 +3813,56 @@ f_cyan_ilr_2
f_JCZ38_qlogis
f_JSE76_qlogis
log_k1
-log_k2 0.0280
-g_qlogis -0.0278 -0.0310
+log_k2 0.0276
+g_qlogis -0.0283 -0.0309
Random effects:
- est. lower upper
-SD.log_k_JCZ38 0.5818 0.15679 1.0067
-SD.log_k_J9Z38 0.7421 0.16751 1.3167
-SD.log_k_JSE76 1.2841 0.43247 2.1356
-SD.f_cyan_ilr_1 0.3748 0.13040 0.6192
-SD.f_cyan_ilr_2 0.4550 0.08396 0.8261
-SD.f_JCZ38_qlogis 2.0862 -0.73390 4.9062
-SD.f_JSE76_qlogis 1.9585 -3.14773 7.0647
-SD.log_k1 0.7389 0.25761 1.2201
-SD.log_k2 0.5132 0.18143 0.8450
-SD.g_qlogis 0.9870 0.35773 1.6164
+ est. lower upper
+SD.log_k_JCZ38 1.2747 4.577e-01 2.092e+00
+SD.log_k_J9Z38 0.6758 1.418e-01 1.210e+00
+SD.log_k_JSE76 0.5869 1.169e-01 1.057e+00
+SD.f_cyan_ilr_1 0.3392 1.161e-01 5.622e-01
+SD.f_cyan_ilr_2 0.4200 8.501e-02 7.550e-01
+SD.f_JCZ38_qlogis 0.8511 -1.137e+06 1.137e+06
+SD.f_JSE76_qlogis 0.3767 -5.238e-01 1.277e+00
+SD.log_k1 0.7475 2.601e-01 1.235e+00
+SD.log_k2 0.5179 1.837e-01 8.521e-01
+SD.g_qlogis 0.9817 3.553e-01 1.608e+00
Variance model:
est. lower upper
-a.1 2.716 2.526 2.906
+a.1 2.737 2.545 2.928
Backtransformed parameters:
est. lower upper
-cyan_0 1.027e+02 1.014e+02 103.93649
-k_JCZ38 9.056e-02 5.076e-02 0.16154
-k_J9Z38 5.591e-03 2.660e-03 0.01175
-k_JSE76 4.603e-02 1.423e-02 0.14890
-f_cyan_to_JCZ38 6.184e-01 NA NA
-f_cyan_to_J9Z38 2.248e-01 NA NA
-f_JCZ38_to_JSE76 9.908e-01 6.064e-01 0.99987
-f_JSE76_to_JCZ38 9.934e-01 2.662e-01 0.99998
-k1 1.406e-01 7.214e-02 0.27393
-k2 1.123e-02 7.086e-03 0.01779
-g 3.856e-01 2.068e-01 0.60177
+cyan_0 102.72037 1.014e+02 104.00464
+k_JCZ38 0.05544 1.752e-02 0.17539
+k_J9Z38 0.00584 2.942e-03 0.01159
+k_JSE76 0.02850 1.539e-02 0.05279
+f_cyan_to_JCZ38 0.59995 NA NA
+f_cyan_to_J9Z38 0.22519 NA NA
+f_JCZ38_to_JSE76 0.99994 0.000e+00 1.00000
+f_JSE76_to_JCZ38 0.90229 6.384e-01 0.97971
+k1 0.14459 7.357e-02 0.28414
+k2 0.01144 7.192e-03 0.01819
+g 0.37784 2.021e-01 0.59284
Resulting formation fractions:
- ff
-cyan_JCZ38 0.618443
-cyan_J9Z38 0.224770
-cyan_sink 0.156787
-JCZ38_JSE76 0.990803
-JCZ38_sink 0.009197
-JSE76_JCZ38 0.993360
-JSE76_sink 0.006640
+ ff
+cyan_JCZ38 5.999e-01
+cyan_J9Z38 2.252e-01
+cyan_sink 1.749e-01
+JCZ38_JSE76 9.999e-01
+JCZ38_sink 5.506e-05
+JSE76_JCZ38 9.023e-01
+JSE76_sink 9.771e-02
Estimated disappearance times:
- DT50 DT90 DT50back DT50_k1 DT50_k2
-cyan 21.674 161.70 48.68 4.931 61.74
-JCZ38 7.654 25.43 NA NA NA
-J9Z38 123.966 411.81 NA NA NA
-JSE76 15.057 50.02 NA NA NA
+ DT50 DT90 DT50back DT50_k1 DT50_k2
+cyan 21.93 159.83 48.11 4.794 60.6
+JCZ38 12.50 41.53 NA NA NA
+J9Z38 118.69 394.27 NA NA NA
+JSE76 24.32 80.78 NA NA NA
</code></pre>
<p></p>
@@ -4173,10 +3871,10 @@ Hierarchical DFOP path 2 fit with two-component error
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 08:01:24 2023
-Date of summary: Thu Apr 20 20:01:30 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:43:04 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *
@@ -4196,59 +3894,59 @@ Data:
Model predictions using solution type deSolve
-Fitted in 726.501 s
+Fitted in 688.913 s
Using 300, 100 iterations and 10 chains
Variance model: Two-component variance function
Starting values for degradation parameters:
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
- 101.7523 -1.5948 -5.0119 -2.2723 0.6719
+ 101.7393 -1.4493 -5.0118 -2.1269 0.6720
f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis log_k1 log_k2
- 5.1681 12.8238 12.4130 -2.0057 -4.5526
+ 7.3362 13.4423 13.2659 -2.0061 -4.5527
g_qlogis
- -0.5805
+ -0.5806
Fixed degradation parameter values:
None
Starting values for random effects (square root of initial entries in omega):
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
-cyan_0 5.627 0.000 0.000 0.000 0.0000
-log_k_JCZ38 0.000 2.327 0.000 0.000 0.0000
-log_k_J9Z38 0.000 0.000 1.664 0.000 0.0000
-log_k_JSE76 0.000 0.000 0.000 4.566 0.0000
-f_cyan_ilr_1 0.000 0.000 0.000 0.000 0.6519
-f_cyan_ilr_2 0.000 0.000 0.000 0.000 0.0000
-f_JCZ38_qlogis 0.000 0.000 0.000 0.000 0.0000
-f_JSE76_qlogis 0.000 0.000 0.000 0.000 0.0000
-log_k1 0.000 0.000 0.000 0.000 0.0000
-log_k2 0.000 0.000 0.000 0.000 0.0000
-g_qlogis 0.000 0.000 0.000 0.000 0.0000
+cyan_0 5.604 0.00 0.000 0.000 0.0000
+log_k_JCZ38 0.000 2.77 0.000 0.000 0.0000
+log_k_J9Z38 0.000 0.00 1.662 0.000 0.0000
+log_k_JSE76 0.000 0.00 0.000 5.021 0.0000
+f_cyan_ilr_1 0.000 0.00 0.000 0.000 0.6519
+f_cyan_ilr_2 0.000 0.00 0.000 0.000 0.0000
+f_JCZ38_qlogis 0.000 0.00 0.000 0.000 0.0000
+f_JSE76_qlogis 0.000 0.00 0.000 0.000 0.0000
+log_k1 0.000 0.00 0.000 0.000 0.0000
+log_k2 0.000 0.00 0.000 0.000 0.0000
+g_qlogis 0.000 0.00 0.000 0.000 0.0000
f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis log_k1 log_k2
-cyan_0 0.0 0.00 0.00 0.0000 0.0000
-log_k_JCZ38 0.0 0.00 0.00 0.0000 0.0000
-log_k_J9Z38 0.0 0.00 0.00 0.0000 0.0000
-log_k_JSE76 0.0 0.00 0.00 0.0000 0.0000
-f_cyan_ilr_1 0.0 0.00 0.00 0.0000 0.0000
-f_cyan_ilr_2 10.1 0.00 0.00 0.0000 0.0000
-f_JCZ38_qlogis 0.0 13.99 0.00 0.0000 0.0000
-f_JSE76_qlogis 0.0 0.00 14.15 0.0000 0.0000
-log_k1 0.0 0.00 0.00 0.8452 0.0000
-log_k2 0.0 0.00 0.00 0.0000 0.5968
-g_qlogis 0.0 0.00 0.00 0.0000 0.0000
+cyan_0 0.00 0.00 0.00 0.0000 0.0000
+log_k_JCZ38 0.00 0.00 0.00 0.0000 0.0000
+log_k_J9Z38 0.00 0.00 0.00 0.0000 0.0000
+log_k_JSE76 0.00 0.00 0.00 0.0000 0.0000
+f_cyan_ilr_1 0.00 0.00 0.00 0.0000 0.0000
+f_cyan_ilr_2 13.37 0.00 0.00 0.0000 0.0000
+f_JCZ38_qlogis 0.00 14.21 0.00 0.0000 0.0000
+f_JSE76_qlogis 0.00 0.00 14.58 0.0000 0.0000
+log_k1 0.00 0.00 0.00 0.8453 0.0000
+log_k2 0.00 0.00 0.00 0.0000 0.5969
+g_qlogis 0.00 0.00 0.00 0.0000 0.0000
g_qlogis
-cyan_0 0.000
-log_k_JCZ38 0.000
-log_k_J9Z38 0.000
-log_k_JSE76 0.000
-f_cyan_ilr_1 0.000
-f_cyan_ilr_2 0.000
-f_JCZ38_qlogis 0.000
-f_JSE76_qlogis 0.000
-log_k1 0.000
-log_k2 0.000
-g_qlogis 1.691
+cyan_0 0.00
+log_k_JCZ38 0.00
+log_k_J9Z38 0.00
+log_k_JSE76 0.00
+f_cyan_ilr_1 0.00
+f_cyan_ilr_2 0.00
+f_JCZ38_qlogis 0.00
+f_JSE76_qlogis 0.00
+log_k1 0.00
+log_k2 0.00
+g_qlogis 1.69
Starting values for error model parameters:
a.1 b.1
@@ -4261,42 +3959,42 @@ Likelihood computed by importance sampling
2234 2226 -1095
Optimised parameters:
- est. lower upper
-cyan_0 101.10667 9.903e+01 103.18265
-log_k_JCZ38 -2.49437 -3.297e+00 -1.69221
-log_k_J9Z38 -5.08171 -5.875e+00 -4.28846
-log_k_JSE76 -3.20072 -4.180e+00 -2.22163
-f_cyan_ilr_1 0.71059 3.639e-01 1.05727
-f_cyan_ilr_2 1.15398 2.981e-01 2.00984
-f_JCZ38_qlogis 3.18027 1.056e+00 5.30452
-f_JSE76_qlogis 5.61578 -2.505e+01 36.28077
-log_k1 -2.38875 -2.517e+00 -2.26045
-log_k2 -4.67246 -4.928e+00 -4.41715
-g_qlogis -0.28231 -1.135e+00 0.57058
-a.1 2.08190 1.856e+00 2.30785
-b.1 0.06114 5.015e-02 0.07214
-SD.log_k_JCZ38 0.84622 2.637e-01 1.42873
-SD.log_k_J9Z38 0.84564 2.566e-01 1.43464
-SD.log_k_JSE76 1.04385 3.242e-01 1.76351
-SD.f_cyan_ilr_1 0.38568 1.362e-01 0.63514
-SD.f_cyan_ilr_2 0.68046 7.166e-02 1.28925
-SD.f_JCZ38_qlogis 1.25244 -4.213e-02 2.54700
-SD.f_JSE76_qlogis 0.28202 -1.515e+03 1515.87968
-SD.log_k2 0.25749 7.655e-02 0.43843
-SD.g_qlogis 0.94535 3.490e-01 1.54174
+ est. lower upper
+cyan_0 101.25496 99.14662 103.36331
+log_k_JCZ38 -2.55593 -3.32972 -1.78215
+log_k_J9Z38 -5.07103 -5.85423 -4.28783
+log_k_JSE76 -3.25468 -4.17577 -2.33360
+f_cyan_ilr_1 0.70139 0.35924 1.04355
+f_cyan_ilr_2 1.07712 0.17789 1.97636
+f_JCZ38_qlogis 3.57483 0.05990 7.08976
+f_JSE76_qlogis 4.54884 -7.25628 16.35395
+log_k1 -2.38201 -2.51639 -2.24763
+log_k2 -4.66741 -4.91865 -4.41617
+g_qlogis -0.28446 -1.14192 0.57300
+a.1 2.05925 1.83267 2.28582
+b.1 0.06172 0.05076 0.07268
+SD.log_k_JCZ38 0.81137 0.25296 1.36977
+SD.log_k_J9Z38 0.83542 0.25396 1.41689
+SD.log_k_JSE76 0.97903 0.30100 1.65707
+SD.f_cyan_ilr_1 0.37878 0.13374 0.62382
+SD.f_cyan_ilr_2 0.67274 0.10102 1.24446
+SD.f_JCZ38_qlogis 1.35327 -0.42361 3.13015
+SD.f_JSE76_qlogis 1.43956 -19.15140 22.03052
+SD.log_k2 0.25329 0.07521 0.43138
+SD.g_qlogis 0.95167 0.35149 1.55184
Correlation:
cyan_0 l__JCZ3 l__J9Z3 l__JSE7 f_cy__1 f_cy__2 f_JCZ38 f_JSE76
-log_k_JCZ38 -0.0086
-log_k_J9Z38 -0.0363 -0.0007
-log_k_JSE76 0.0015 0.1210 -0.0017
-f_cyan_ilr_1 -0.0048 0.0095 -0.0572 0.0030
-f_cyan_ilr_2 -0.4788 0.0328 0.1143 0.0027 -0.0316
-f_JCZ38_qlogis 0.0736 -0.0664 -0.0137 0.0145 -0.0444 -0.2175
-f_JSE76_qlogis -0.0137 0.0971 0.0035 0.0009 0.0293 0.1333 -0.6767
-log_k1 0.2345 -0.0350 -0.0099 -0.0113 -0.0126 -0.1652 0.1756 -0.2161
-log_k2 0.0440 -0.0133 0.0199 -0.0040 -0.0097 -0.0119 0.0604 -0.1306
-g_qlogis 0.0438 0.0078 -0.0123 0.0029 0.0046 -0.0363 -0.0318 0.0736
+log_k_JCZ38 -0.0265
+log_k_J9Z38 -0.0392 0.0024
+log_k_JSE76 0.0011 0.1220 -0.0016
+f_cyan_ilr_1 -0.0161 0.0217 -0.0552 0.0034
+f_cyan_ilr_2 -0.4718 0.0829 0.1102 0.0042 0.0095
+f_JCZ38_qlogis 0.1609 -0.1318 -0.0277 0.0081 -0.1040 -0.4559
+f_JSE76_qlogis -0.1289 0.1494 0.0219 0.0012 0.1004 0.4309 -0.8543
+log_k1 0.2618 -0.0739 -0.0167 -0.0148 -0.0444 -0.2768 0.3518 -0.3818
+log_k2 0.0603 -0.0217 0.0174 -0.0058 -0.0197 -0.0533 0.0923 -0.1281
+g_qlogis 0.0362 0.0115 -0.0111 0.0040 0.0095 -0.0116 -0.0439 0.0651
log_k1 log_k2
log_k_JCZ38
log_k_J9Z38
@@ -4306,56 +4004,56 @@ f_cyan_ilr_2
f_JCZ38_qlogis
f_JSE76_qlogis
log_k1
-log_k2 0.3198
-g_qlogis -0.1666 -0.0954
+log_k2 0.3269
+g_qlogis -0.1656 -0.0928
Random effects:
- est. lower upper
-SD.log_k_JCZ38 0.8462 2.637e-01 1.4287
-SD.log_k_J9Z38 0.8456 2.566e-01 1.4346
-SD.log_k_JSE76 1.0439 3.242e-01 1.7635
-SD.f_cyan_ilr_1 0.3857 1.362e-01 0.6351
-SD.f_cyan_ilr_2 0.6805 7.166e-02 1.2893
-SD.f_JCZ38_qlogis 1.2524 -4.213e-02 2.5470
-SD.f_JSE76_qlogis 0.2820 -1.515e+03 1515.8797
-SD.log_k2 0.2575 7.655e-02 0.4384
-SD.g_qlogis 0.9453 3.490e-01 1.5417
+ est. lower upper
+SD.log_k_JCZ38 0.8114 0.25296 1.3698
+SD.log_k_J9Z38 0.8354 0.25396 1.4169
+SD.log_k_JSE76 0.9790 0.30100 1.6571
+SD.f_cyan_ilr_1 0.3788 0.13374 0.6238
+SD.f_cyan_ilr_2 0.6727 0.10102 1.2445
+SD.f_JCZ38_qlogis 1.3533 -0.42361 3.1301
+SD.f_JSE76_qlogis 1.4396 -19.15140 22.0305
+SD.log_k2 0.2533 0.07521 0.4314
+SD.g_qlogis 0.9517 0.35149 1.5518
Variance model:
est. lower upper
-a.1 2.08190 1.85595 2.30785
-b.1 0.06114 0.05015 0.07214
+a.1 2.05925 1.83267 2.28582
+b.1 0.06172 0.05076 0.07268
Backtransformed parameters:
est. lower upper
-cyan_0 1.011e+02 9.903e+01 103.18265
-k_JCZ38 8.255e-02 3.701e-02 0.18411
-k_J9Z38 6.209e-03 2.809e-03 0.01373
-k_JSE76 4.073e-02 1.530e-02 0.10843
-f_cyan_to_JCZ38 6.608e-01 NA NA
-f_cyan_to_J9Z38 2.419e-01 NA NA
-f_JCZ38_to_JSE76 9.601e-01 7.419e-01 0.99506
-f_JSE76_to_JCZ38 9.964e-01 1.322e-11 1.00000
-k1 9.174e-02 8.070e-02 0.10430
-k2 9.349e-03 7.243e-03 0.01207
-g 4.299e-01 2.432e-01 0.63890
+cyan_0 1.013e+02 9.915e+01 103.36331
+k_JCZ38 7.762e-02 3.580e-02 0.16828
+k_J9Z38 6.276e-03 2.868e-03 0.01373
+k_JSE76 3.859e-02 1.536e-02 0.09695
+f_cyan_to_JCZ38 6.520e-01 NA NA
+f_cyan_to_J9Z38 2.418e-01 NA NA
+f_JCZ38_to_JSE76 9.727e-01 5.150e-01 0.99917
+f_JSE76_to_JCZ38 9.895e-01 7.052e-04 1.00000
+k1 9.236e-02 8.075e-02 0.10565
+k2 9.397e-03 7.309e-03 0.01208
+g 4.294e-01 2.420e-01 0.63945
Resulting formation fractions:
- ff
-cyan_JCZ38 0.660808
-cyan_J9Z38 0.241904
-cyan_sink 0.097288
-JCZ38_JSE76 0.960085
-JCZ38_sink 0.039915
-JSE76_JCZ38 0.996373
-JSE76_sink 0.003627
+ ff
+cyan_JCZ38 0.65203
+cyan_J9Z38 0.24181
+cyan_sink 0.10616
+JCZ38_JSE76 0.97274
+JCZ38_sink 0.02726
+JSE76_JCZ38 0.98953
+JSE76_sink 0.01047
Estimated disappearance times:
- DT50 DT90 DT50back DT50_k1 DT50_k2
-cyan 24.359 186.18 56.05 7.555 74.14
-JCZ38 8.397 27.89 NA NA NA
-J9Z38 111.631 370.83 NA NA NA
-JSE76 17.017 56.53 NA NA NA
+ DT50 DT90 DT50back DT50_k1 DT50_k2
+cyan 24.26 185.34 55.79 7.504 73.77
+JCZ38 8.93 29.66 NA NA NA
+J9Z38 110.45 366.89 NA NA NA
+JSE76 17.96 59.66 NA NA NA
</code></pre>
<p></p>
@@ -4364,10 +4062,10 @@ Hierarchical SFORB path 2 fit with constant variance
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 07:58:46 2023
-Date of summary: Thu Apr 20 20:01:30 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:40:32 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan_free/dt = - k_cyan_free * cyan_free - k_cyan_free_bound *
@@ -4385,20 +4083,20 @@ Data:
Model predictions using solution type deSolve
-Fitted in 568.562 s
+Fitted in 536.94 s
Using 300, 100 iterations and 10 chains
Variance model: Constant variance
Starting values for degradation parameters:
cyan_free_0 log_k_cyan_free log_k_cyan_free_bound
- 102.4394 -2.7673 -2.8942
+ 102.4395 -2.7673 -2.8942
log_k_cyan_bound_free log_k_JCZ38 log_k_J9Z38
-3.6201 -2.3107 -5.3123
log_k_JSE76 f_cyan_ilr_1 f_cyan_ilr_2
-3.7120 0.6754 1.1448
f_JCZ38_qlogis f_JSE76_qlogis
- 13.2672 13.3538
+ 14.8408 15.4734
Fixed degradation parameter values:
None
@@ -4429,17 +4127,17 @@ f_cyan_ilr_2 0.000 0.0000 0.000 0.0
f_JCZ38_qlogis 0.000 0.0000 0.000 0.0
f_JSE76_qlogis 0.000 0.0000 0.000 0.0
f_cyan_ilr_1 f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis
-cyan_free_0 0.0000 0.000 0.00 0.00
-log_k_cyan_free 0.0000 0.000 0.00 0.00
-log_k_cyan_free_bound 0.0000 0.000 0.00 0.00
-log_k_cyan_bound_free 0.0000 0.000 0.00 0.00
-log_k_JCZ38 0.0000 0.000 0.00 0.00
-log_k_J9Z38 0.0000 0.000 0.00 0.00
-log_k_JSE76 0.0000 0.000 0.00 0.00
-f_cyan_ilr_1 0.6349 0.000 0.00 0.00
-f_cyan_ilr_2 0.0000 1.797 0.00 0.00
-f_JCZ38_qlogis 0.0000 0.000 13.84 0.00
-f_JSE76_qlogis 0.0000 0.000 0.00 14.66
+cyan_free_0 0.0000 0.000 0.0 0.00
+log_k_cyan_free 0.0000 0.000 0.0 0.00
+log_k_cyan_free_bound 0.0000 0.000 0.0 0.00
+log_k_cyan_bound_free 0.0000 0.000 0.0 0.00
+log_k_JCZ38 0.0000 0.000 0.0 0.00
+log_k_J9Z38 0.0000 0.000 0.0 0.00
+log_k_JSE76 0.0000 0.000 0.0 0.00
+f_cyan_ilr_1 0.6349 0.000 0.0 0.00
+f_cyan_ilr_2 0.0000 1.797 0.0 0.00
+f_JCZ38_qlogis 0.0000 0.000 15.6 0.00
+f_JSE76_qlogis 0.0000 0.000 0.0 17.52
Starting values for error model parameters:
a.1
@@ -4449,45 +4147,45 @@ Results:
Likelihood computed by importance sampling
AIC BIC logLik
- 2284 2275 -1120
+ 2283 2275 -1120
Optimised parameters:
- est. lower upper
-cyan_free_0 102.7730 1.015e+02 1.041e+02
-log_k_cyan_free -2.8530 -3.167e+00 -2.539e+00
-log_k_cyan_free_bound -2.7326 -3.543e+00 -1.922e+00
-log_k_cyan_bound_free -3.5582 -4.126e+00 -2.990e+00
-log_k_JCZ38 -2.3810 -2.921e+00 -1.841e+00
-log_k_J9Z38 -5.2301 -5.963e+00 -4.497e+00
-log_k_JSE76 -3.0286 -4.286e+00 -1.771e+00
-f_cyan_ilr_1 0.7081 3.733e-01 1.043e+00
-f_cyan_ilr_2 0.5847 7.846e-03 1.162e+00
-f_JCZ38_qlogis 9.5676 -1.323e+03 1.342e+03
-f_JSE76_qlogis 3.7042 7.254e-02 7.336e+00
-a.1 2.7222 2.532e+00 2.913e+00
-SD.log_k_cyan_free 0.3338 1.086e-01 5.589e-01
-SD.log_k_cyan_free_bound 0.8888 3.023e-01 1.475e+00
-SD.log_k_cyan_bound_free 0.6220 2.063e-01 1.038e+00
-SD.log_k_JCZ38 0.5221 1.334e-01 9.108e-01
-SD.log_k_J9Z38 0.7104 1.371e-01 1.284e+00
-SD.log_k_JSE76 1.3837 4.753e-01 2.292e+00
-SD.f_cyan_ilr_1 0.3620 1.248e-01 5.992e-01
-SD.f_cyan_ilr_2 0.4259 8.145e-02 7.704e-01
-SD.f_JCZ38_qlogis 3.5332 -1.037e+05 1.037e+05
-SD.f_JSE76_qlogis 1.6990 -2.771e-01 3.675e+00
+ est. lower upper
+cyan_free_0 102.6517 101.40815 103.8952
+log_k_cyan_free -2.8729 -3.18649 -2.5593
+log_k_cyan_free_bound -2.7803 -3.60525 -1.9552
+log_k_cyan_bound_free -3.5845 -4.16644 -3.0026
+log_k_JCZ38 -2.3411 -2.89698 -1.7852
+log_k_J9Z38 -5.2487 -6.01271 -4.4847
+log_k_JSE76 -3.0259 -4.28274 -1.7690
+f_cyan_ilr_1 0.7289 0.38214 1.0756
+f_cyan_ilr_2 0.6891 0.18277 1.1954
+f_JCZ38_qlogis 4.2162 0.47015 7.9622
+f_JSE76_qlogis 5.8911 -20.19088 31.9730
+a.1 2.7159 2.52587 2.9060
+SD.log_k_cyan_free 0.3354 0.10979 0.5610
+SD.log_k_cyan_free_bound 0.9061 0.30969 1.5025
+SD.log_k_cyan_bound_free 0.6376 0.21229 1.0628
+SD.log_k_JCZ38 0.5499 0.14533 0.9545
+SD.log_k_J9Z38 0.7457 0.15106 1.3404
+SD.log_k_JSE76 1.3822 0.47329 2.2912
+SD.f_cyan_ilr_1 0.3820 0.13280 0.6313
+SD.f_cyan_ilr_2 0.4317 0.06803 0.7953
+SD.f_JCZ38_qlogis 1.8258 -0.25423 3.9059
+SD.f_JSE76_qlogis 2.2348 -83.33679 87.8065
Correlation:
cyn_f_0 lg_k_c_ lg_k_cyn_f_ lg_k_cyn_b_ l__JCZ3 l__J9Z3
-log_k_cyan_free 0.2126
-log_k_cyan_free_bound 0.0894 0.0871
-log_k_cyan_bound_free 0.0033 0.0410 0.0583
-log_k_JCZ38 -0.0708 -0.0280 -0.0147 0.0019
-log_k_J9Z38 -0.0535 -0.0138 0.0012 0.0148 0.0085
-log_k_JSE76 -0.0066 -0.0030 -0.0021 -0.0005 0.1090 0.0010
-f_cyan_ilr_1 -0.0364 -0.0157 -0.0095 -0.0015 0.0458 -0.0960
-f_cyan_ilr_2 -0.3814 -0.1104 -0.0423 0.0146 0.1540 0.1526
-f_JCZ38_qlogis 0.2507 0.0969 0.0482 -0.0097 -0.2282 -0.0363
-f_JSE76_qlogis -0.1648 -0.0710 -0.0443 -0.0087 0.2002 0.0226
+log_k_cyan_free 0.1944
+log_k_cyan_free_bound 0.0815 0.0814
+log_k_cyan_bound_free 0.0106 0.0426 0.0585
+log_k_JCZ38 -0.0231 -0.0106 -0.0089 -0.0051
+log_k_J9Z38 -0.0457 -0.0108 0.0019 0.0129 0.0032
+log_k_JSE76 -0.0054 -0.0024 -0.0017 -0.0005 0.1108 0.0009
+f_cyan_ilr_1 0.0051 -0.0005 -0.0035 -0.0056 0.0131 -0.0967
+f_cyan_ilr_2 -0.3182 -0.0771 -0.0309 -0.0038 0.0680 0.1643
+f_JCZ38_qlogis 0.0834 0.0369 0.0302 0.0172 -0.1145 -0.0204
+f_JSE76_qlogis -0.0553 -0.0365 -0.0441 -0.0414 0.1579 0.0175
l__JSE7 f_cy__1 f_cy__2 f_JCZ38
log_k_cyan_free
log_k_cyan_free_bound
@@ -4495,63 +4193,63 @@ log_k_cyan_bound_free
log_k_JCZ38
log_k_J9Z38
log_k_JSE76
-f_cyan_ilr_1 0.0001
-f_cyan_ilr_2 0.0031 0.0586
-f_JCZ38_qlogis 0.0023 -0.1867 -0.6255
-f_JSE76_qlogis 0.0082 0.1356 0.4519 -0.7951
+f_cyan_ilr_1 -0.0002
+f_cyan_ilr_2 0.0020 -0.0415
+f_JCZ38_qlogis 0.0052 -0.0665 -0.3437
+f_JSE76_qlogis 0.0066 0.0635 0.3491 -0.7487
Random effects:
- est. lower upper
-SD.log_k_cyan_free 0.3338 1.086e-01 5.589e-01
-SD.log_k_cyan_free_bound 0.8888 3.023e-01 1.475e+00
-SD.log_k_cyan_bound_free 0.6220 2.063e-01 1.038e+00
-SD.log_k_JCZ38 0.5221 1.334e-01 9.108e-01
-SD.log_k_J9Z38 0.7104 1.371e-01 1.284e+00
-SD.log_k_JSE76 1.3837 4.753e-01 2.292e+00
-SD.f_cyan_ilr_1 0.3620 1.248e-01 5.992e-01
-SD.f_cyan_ilr_2 0.4259 8.145e-02 7.704e-01
-SD.f_JCZ38_qlogis 3.5332 -1.037e+05 1.037e+05
-SD.f_JSE76_qlogis 1.6990 -2.771e-01 3.675e+00
+ est. lower upper
+SD.log_k_cyan_free 0.3354 0.10979 0.5610
+SD.log_k_cyan_free_bound 0.9061 0.30969 1.5025
+SD.log_k_cyan_bound_free 0.6376 0.21229 1.0628
+SD.log_k_JCZ38 0.5499 0.14533 0.9545
+SD.log_k_J9Z38 0.7457 0.15106 1.3404
+SD.log_k_JSE76 1.3822 0.47329 2.2912
+SD.f_cyan_ilr_1 0.3820 0.13280 0.6313
+SD.f_cyan_ilr_2 0.4317 0.06803 0.7953
+SD.f_JCZ38_qlogis 1.8258 -0.25423 3.9059
+SD.f_JSE76_qlogis 2.2348 -83.33679 87.8065
Variance model:
est. lower upper
-a.1 2.722 2.532 2.913
+a.1 2.716 2.526 2.906
Backtransformed parameters:
est. lower upper
-cyan_free_0 1.028e+02 1.015e+02 104.06475
-k_cyan_free 5.767e-02 4.213e-02 0.07894
-k_cyan_free_bound 6.505e-02 2.892e-02 0.14633
-k_cyan_bound_free 2.849e-02 1.614e-02 0.05028
-k_JCZ38 9.246e-02 5.390e-02 0.15859
-k_J9Z38 5.353e-03 2.572e-03 0.01114
-k_JSE76 4.838e-02 1.376e-02 0.17009
-f_cyan_free_to_JCZ38 6.011e-01 5.028e-01 0.83792
-f_cyan_free_to_J9Z38 2.208e-01 5.028e-01 0.83792
-f_JCZ38_to_JSE76 9.999e-01 0.000e+00 1.00000
-f_JSE76_to_JCZ38 9.760e-01 5.181e-01 0.99935
+cyan_free_0 1.027e+02 1.014e+02 103.89517
+k_cyan_free 5.654e-02 4.132e-02 0.07736
+k_cyan_free_bound 6.202e-02 2.718e-02 0.14153
+k_cyan_bound_free 2.775e-02 1.551e-02 0.04966
+k_JCZ38 9.622e-02 5.519e-02 0.16777
+k_J9Z38 5.254e-03 2.447e-03 0.01128
+k_JSE76 4.852e-02 1.380e-02 0.17051
+f_cyan_free_to_JCZ38 6.197e-01 5.643e-01 0.84429
+f_cyan_free_to_J9Z38 2.211e-01 5.643e-01 0.84429
+f_JCZ38_to_JSE76 9.855e-01 6.154e-01 0.99965
+f_JSE76_to_JCZ38 9.972e-01 1.703e-09 1.00000
Estimated Eigenvalues of SFORB model(s):
cyan_b1 cyan_b2 cyan_g
-0.13942 0.01178 0.35948
+0.13466 0.01165 0.36490
Resulting formation fractions:
- ff
-cyan_free_JCZ38 6.011e-01
-cyan_free_J9Z38 2.208e-01
-cyan_free_sink 1.780e-01
-cyan_free 1.000e+00
-JCZ38_JSE76 9.999e-01
-JCZ38_sink 6.996e-05
-JSE76_JCZ38 9.760e-01
-JSE76_sink 2.403e-02
+ ff
+cyan_free_JCZ38 0.619745
+cyan_free_J9Z38 0.221083
+cyan_free_sink 0.159172
+cyan_free 1.000000
+JCZ38_JSE76 0.985460
+JCZ38_sink 0.014540
+JSE76_JCZ38 0.997244
+JSE76_sink 0.002756
Estimated disappearance times:
DT50 DT90 DT50back DT50_cyan_b1 DT50_cyan_b2
-cyan 23.390 157.60 47.44 4.971 58.82
-JCZ38 7.497 24.90 NA NA NA
-J9Z38 129.482 430.13 NA NA NA
-JSE76 14.326 47.59 NA NA NA
+cyan 23.293 158.67 47.77 5.147 59.5
+JCZ38 7.203 23.93 NA NA NA
+J9Z38 131.918 438.22 NA NA NA
+JSE76 14.287 47.46 NA NA NA
</code></pre>
<p></p>
@@ -4560,10 +4258,10 @@ Hierarchical SFORB path 2 fit with two-component error
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 08:01:30 2023
-Date of summary: Thu Apr 20 20:01:30 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:42:47 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan_free/dt = - k_cyan_free * cyan_free - k_cyan_free_bound *
@@ -4581,20 +4279,20 @@ Data:
Model predictions using solution type deSolve
-Fitted in 732.212 s
+Fitted in 671.849 s
Using 300, 100 iterations and 10 chains
Variance model: Two-component variance function
Starting values for degradation parameters:
cyan_free_0 log_k_cyan_free log_k_cyan_free_bound
- 101.751 -2.837 -3.016
+ 101.7511 -2.8370 -3.0162
log_k_cyan_bound_free log_k_JCZ38 log_k_J9Z38
- -3.660 -2.299 -5.313
+ -3.6600 -2.2988 -5.3129
log_k_JSE76 f_cyan_ilr_1 f_cyan_ilr_2
- -3.699 0.672 5.873
+ -3.6991 0.6722 4.8596
f_JCZ38_qlogis f_JSE76_qlogis
- 13.216 13.338
+ 13.4678 14.2149
Fixed degradation parameter values:
None
@@ -4625,17 +4323,17 @@ f_cyan_ilr_2 0.000 0.0000 0.000 0.0000
f_JCZ38_qlogis 0.000 0.0000 0.000 0.0000
f_JSE76_qlogis 0.000 0.0000 0.000 0.0000
f_cyan_ilr_1 f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis
-cyan_free_0 0.0000 0.00 0.00 0.00
-log_k_cyan_free 0.0000 0.00 0.00 0.00
-log_k_cyan_free_bound 0.0000 0.00 0.00 0.00
-log_k_cyan_bound_free 0.0000 0.00 0.00 0.00
-log_k_JCZ38 0.0000 0.00 0.00 0.00
-log_k_J9Z38 0.0000 0.00 0.00 0.00
-log_k_JSE76 0.0000 0.00 0.00 0.00
-f_cyan_ilr_1 0.6519 0.00 0.00 0.00
-f_cyan_ilr_2 0.0000 10.78 0.00 0.00
-f_JCZ38_qlogis 0.0000 0.00 13.96 0.00
-f_JSE76_qlogis 0.0000 0.00 0.00 14.69
+cyan_free_0 0.0000 0.000 0.00 0.00
+log_k_cyan_free 0.0000 0.000 0.00 0.00
+log_k_cyan_free_bound 0.0000 0.000 0.00 0.00
+log_k_cyan_bound_free 0.0000 0.000 0.00 0.00
+log_k_JCZ38 0.0000 0.000 0.00 0.00
+log_k_J9Z38 0.0000 0.000 0.00 0.00
+log_k_JSE76 0.0000 0.000 0.00 0.00
+f_cyan_ilr_1 0.6518 0.000 0.00 0.00
+f_cyan_ilr_2 0.0000 9.981 0.00 0.00
+f_JCZ38_qlogis 0.0000 0.000 14.26 0.00
+f_JSE76_qlogis 0.0000 0.000 0.00 16.17
Starting values for error model parameters:
a.1 b.1
@@ -4645,45 +4343,45 @@ Results:
Likelihood computed by importance sampling
AIC BIC logLik
- 2240 2232 -1098
+ 2240 2231 -1098
Optimised parameters:
- est. lower upper
-cyan_free_0 101.10205 98.99221 103.2119
-log_k_cyan_free -3.16929 -3.61395 -2.7246
-log_k_cyan_free_bound -3.38259 -3.63022 -3.1350
-log_k_cyan_bound_free -3.81075 -4.13888 -3.4826
-log_k_JCZ38 -2.42057 -3.00756 -1.8336
-log_k_J9Z38 -5.07501 -5.85138 -4.2986
-log_k_JSE76 -3.12442 -4.21277 -2.0361
-f_cyan_ilr_1 0.70577 0.35788 1.0537
-f_cyan_ilr_2 1.14824 0.15810 2.1384
-f_JCZ38_qlogis 3.52245 0.43257 6.6123
-f_JSE76_qlogis 5.65140 -21.22295 32.5257
-a.1 2.07062 1.84329 2.2980
-b.1 0.06227 0.05124 0.0733
-SD.log_k_cyan_free 0.49468 0.18566 0.8037
-SD.log_k_cyan_bound_free 0.28972 0.07188 0.5076
-SD.log_k_JCZ38 0.58852 0.16800 1.0090
-SD.log_k_J9Z38 0.82500 0.24730 1.4027
-SD.log_k_JSE76 1.19201 0.40313 1.9809
-SD.f_cyan_ilr_1 0.38534 0.13640 0.6343
-SD.f_cyan_ilr_2 0.72463 0.10076 1.3485
-SD.f_JCZ38_qlogis 1.38223 -0.20997 2.9744
-SD.f_JSE76_qlogis 2.07989 -72.53027 76.6901
+ est. lower upper
+cyan_free_0 100.73014 9.873e+01 1.027e+02
+log_k_cyan_free -3.19634 -3.641e+00 -2.752e+00
+log_k_cyan_free_bound -3.43533 -3.674e+00 -3.197e+00
+log_k_cyan_bound_free -3.83282 -4.163e+00 -3.503e+00
+log_k_JCZ38 -2.51065 -3.225e+00 -1.796e+00
+log_k_J9Z38 -5.02539 -5.825e+00 -4.226e+00
+log_k_JSE76 -3.24777 -4.163e+00 -2.333e+00
+f_cyan_ilr_1 0.70640 3.562e-01 1.057e+00
+f_cyan_ilr_2 1.42704 3.170e-01 2.537e+00
+f_JCZ38_qlogis 2.84779 1.042e+00 4.654e+00
+f_JSE76_qlogis 8.63674 -6.407e+02 6.580e+02
+a.1 2.07082 1.846e+00 2.296e+00
+b.1 0.06227 5.120e-02 7.334e-02
+SD.log_k_cyan_free 0.49674 1.865e-01 8.069e-01
+SD.log_k_cyan_bound_free 0.28537 6.808e-02 5.027e-01
+SD.log_k_JCZ38 0.74846 2.305e-01 1.266e+00
+SD.log_k_J9Z38 0.86077 2.713e-01 1.450e+00
+SD.log_k_JSE76 0.97613 3.030e-01 1.649e+00
+SD.f_cyan_ilr_1 0.38994 1.382e-01 6.417e-01
+SD.f_cyan_ilr_2 0.82869 3.917e-02 1.618e+00
+SD.f_JCZ38_qlogis 1.05000 -2.809e-02 2.128e+00
+SD.f_JSE76_qlogis 0.44681 -3.986e+05 3.986e+05
Correlation:
cyn_f_0 lg_k_c_ lg_k_cyn_f_ lg_k_cyn_b_ l__JCZ3 l__J9Z3
-log_k_cyan_free 0.1117
-log_k_cyan_free_bound 0.1763 0.1828
-log_k_cyan_bound_free 0.0120 0.0593 0.5030
-log_k_JCZ38 -0.0459 -0.0230 -0.0931 -0.0337
-log_k_J9Z38 -0.0381 -0.0123 -0.0139 0.0237 0.0063
-log_k_JSE76 -0.0044 -0.0038 -0.0175 -0.0072 0.1120 0.0003
-f_cyan_ilr_1 -0.0199 -0.0087 -0.0407 -0.0233 0.0268 -0.0552
-f_cyan_ilr_2 -0.4806 -0.1015 -0.2291 -0.0269 0.1156 0.1113
-f_JCZ38_qlogis 0.1805 0.0825 0.3085 0.0963 -0.1674 -0.0314
-f_JSE76_qlogis -0.1586 -0.0810 -0.3560 -0.1563 0.2025 0.0278
+log_k_cyan_free 0.0936
+log_k_cyan_free_bound 0.1302 0.1627
+log_k_cyan_bound_free 0.0029 0.0525 0.5181
+log_k_JCZ38 -0.0116 -0.0077 -0.0430 -0.0236
+log_k_J9Z38 -0.0192 -0.0077 -0.0048 0.0229 -0.0005
+log_k_JSE76 0.0007 -0.0020 -0.0134 -0.0072 0.1225 -0.0016
+f_cyan_ilr_1 -0.0118 -0.0027 -0.0132 -0.0118 0.0127 -0.0505
+f_cyan_ilr_2 -0.4643 -0.0762 -0.1245 0.0137 0.0497 0.1003
+f_JCZ38_qlogis 0.0710 0.0371 0.1826 0.0925 -0.0869 -0.0130
+f_JSE76_qlogis -0.0367 -0.0270 -0.2274 -0.1865 0.1244 0.0098
l__JSE7 f_cy__1 f_cy__2 f_JCZ38
log_k_cyan_free
log_k_cyan_free_bound
@@ -4691,63 +4389,63 @@ log_k_cyan_bound_free
log_k_JCZ38
log_k_J9Z38
log_k_JSE76
-f_cyan_ilr_1 0.0024
-f_cyan_ilr_2 0.0087 0.0172
-f_JCZ38_qlogis -0.0016 -0.1047 -0.4656
-f_JSE76_qlogis 0.0119 0.1034 0.4584 -0.8137
+f_cyan_ilr_1 0.0036
+f_cyan_ilr_2 0.0050 -0.0201
+f_JCZ38_qlogis 0.0142 -0.0529 -0.2698
+f_JSE76_qlogis 0.0064 0.0345 0.2015 -0.7058
Random effects:
- est. lower upper
-SD.log_k_cyan_free 0.4947 0.18566 0.8037
-SD.log_k_cyan_bound_free 0.2897 0.07188 0.5076
-SD.log_k_JCZ38 0.5885 0.16800 1.0090
-SD.log_k_J9Z38 0.8250 0.24730 1.4027
-SD.log_k_JSE76 1.1920 0.40313 1.9809
-SD.f_cyan_ilr_1 0.3853 0.13640 0.6343
-SD.f_cyan_ilr_2 0.7246 0.10076 1.3485
-SD.f_JCZ38_qlogis 1.3822 -0.20997 2.9744
-SD.f_JSE76_qlogis 2.0799 -72.53027 76.6901
+ est. lower upper
+SD.log_k_cyan_free 0.4967 1.865e-01 8.069e-01
+SD.log_k_cyan_bound_free 0.2854 6.808e-02 5.027e-01
+SD.log_k_JCZ38 0.7485 2.305e-01 1.266e+00
+SD.log_k_J9Z38 0.8608 2.713e-01 1.450e+00
+SD.log_k_JSE76 0.9761 3.030e-01 1.649e+00
+SD.f_cyan_ilr_1 0.3899 1.382e-01 6.417e-01
+SD.f_cyan_ilr_2 0.8287 3.917e-02 1.618e+00
+SD.f_JCZ38_qlogis 1.0500 -2.809e-02 2.128e+00
+SD.f_JSE76_qlogis 0.4468 -3.986e+05 3.986e+05
Variance model:
- est. lower upper
-a.1 2.07062 1.84329 2.2980
-b.1 0.06227 0.05124 0.0733
+ est. lower upper
+a.1 2.07082 1.8458 2.29588
+b.1 0.06227 0.0512 0.07334
Backtransformed parameters:
- est. lower upper
-cyan_free_0 1.011e+02 9.899e+01 103.21190
-k_cyan_free 4.203e-02 2.695e-02 0.06557
-k_cyan_free_bound 3.396e-02 2.651e-02 0.04350
-k_cyan_bound_free 2.213e-02 1.594e-02 0.03073
-k_JCZ38 8.887e-02 4.941e-02 0.15984
-k_J9Z38 6.251e-03 2.876e-03 0.01359
-k_JSE76 4.396e-02 1.481e-02 0.13054
-f_cyan_free_to_JCZ38 6.590e-01 5.557e-01 0.95365
-f_cyan_free_to_J9Z38 2.429e-01 5.557e-01 0.95365
-f_JCZ38_to_JSE76 9.713e-01 6.065e-01 0.99866
-f_JSE76_to_JCZ38 9.965e-01 6.067e-10 1.00000
+ est. lower upper
+cyan_free_0 1.007e+02 9.873e+01 102.72898
+k_cyan_free 4.091e-02 2.623e-02 0.06382
+k_cyan_free_bound 3.221e-02 2.537e-02 0.04090
+k_cyan_bound_free 2.165e-02 1.557e-02 0.03011
+k_JCZ38 8.122e-02 3.975e-02 0.16594
+k_J9Z38 6.569e-03 2.954e-03 0.01461
+k_JSE76 3.886e-02 1.556e-02 0.09703
+f_cyan_free_to_JCZ38 6.785e-01 6.102e-01 0.97309
+f_cyan_free_to_J9Z38 2.498e-01 6.102e-01 0.97309
+f_JCZ38_to_JSE76 9.452e-01 7.392e-01 0.99056
+f_JSE76_to_JCZ38 9.998e-01 5.580e-279 1.00000
Estimated Eigenvalues of SFORB model(s):
cyan_b1 cyan_b2 cyan_g
-0.08749 0.01063 0.40855
+0.08426 0.01051 0.41220
Resulting formation fractions:
- ff
-cyan_free_JCZ38 0.65905
-cyan_free_J9Z38 0.24291
-cyan_free_sink 0.09805
-cyan_free 1.00000
-JCZ38_JSE76 0.97132
-JCZ38_sink 0.02868
-JSE76_JCZ38 0.99650
-JSE76_sink 0.00350
+ ff
+cyan_free_JCZ38 0.6784541
+cyan_free_J9Z38 0.2498405
+cyan_free_sink 0.0717054
+cyan_free 1.0000000
+JCZ38_JSE76 0.9452043
+JCZ38_sink 0.0547957
+JSE76_JCZ38 0.9998226
+JSE76_sink 0.0001774
Estimated disappearance times:
- DT50 DT90 DT50back DT50_cyan_b1 DT50_cyan_b2
-cyan 24.91 167.16 50.32 7.922 65.19
-JCZ38 7.80 25.91 NA NA NA
-J9Z38 110.89 368.36 NA NA NA
-JSE76 15.77 52.38 NA NA NA
+ DT50 DT90 DT50back DT50_cyan_b1 DT50_cyan_b2
+cyan 25.237 168.51 50.73 8.226 65.95
+JCZ38 8.535 28.35 NA NA NA
+J9Z38 105.517 350.52 NA NA NA
+JSE76 17.837 59.25 NA NA NA
</code></pre>
<p></p>
@@ -4761,10 +4459,10 @@ error
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 08:15:01 2023
-Date of summary: Thu Apr 20 20:01:31 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:55:35 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan/dt = - (alpha/beta) * 1/((time/beta) + 1) * cyan
@@ -4779,27 +4477,27 @@ Data:
Model predictions using solution type deSolve
-Fitted in 808.728 s
+Fitted in 748.54 s
Using 300, 100 iterations and 10 chains
Variance model: Two-component variance function
Starting values for degradation parameters:
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
- 101.9028 -1.9055 -5.0249 -2.5646 0.6807
+ 102.4477 -1.8631 -5.1087 -2.5114 0.6826
f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis log_alpha log_beta
- 4.8883 16.0676 9.3923 -0.1346 3.0364
+ 4.7944 15.9616 13.1566 -0.1564 2.9781
Fixed degradation parameter values:
None
Starting values for random effects (square root of initial entries in omega):
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
-cyan_0 6.321 0.000 0.000 0.000 0.0000
-log_k_JCZ38 0.000 1.392 0.000 0.000 0.0000
-log_k_J9Z38 0.000 0.000 1.561 0.000 0.0000
-log_k_JSE76 0.000 0.000 0.000 3.614 0.0000
-f_cyan_ilr_1 0.000 0.000 0.000 0.000 0.6339
+cyan_0 7.701 0.000 0.000 0.000 0.0000
+log_k_JCZ38 0.000 1.448 0.000 0.000 0.0000
+log_k_J9Z38 0.000 0.000 1.724 0.000 0.0000
+log_k_JSE76 0.000 0.000 0.000 3.659 0.0000
+f_cyan_ilr_1 0.000 0.000 0.000 0.000 0.6356
f_cyan_ilr_2 0.000 0.000 0.000 0.000 0.0000
f_JCZ38_qlogis 0.000 0.000 0.000 0.000 0.0000
f_JSE76_qlogis 0.000 0.000 0.000 0.000 0.0000
@@ -4811,11 +4509,11 @@ log_k_JCZ38 0.00 0.00 0.00 0.0000 0.0000
log_k_J9Z38 0.00 0.00 0.00 0.0000 0.0000
log_k_JSE76 0.00 0.00 0.00 0.0000 0.0000
f_cyan_ilr_1 0.00 0.00 0.00 0.0000 0.0000
-f_cyan_ilr_2 10.41 0.00 0.00 0.0000 0.0000
-f_JCZ38_qlogis 0.00 12.24 0.00 0.0000 0.0000
-f_JSE76_qlogis 0.00 0.00 15.13 0.0000 0.0000
-log_alpha 0.00 0.00 0.00 0.3701 0.0000
-log_beta 0.00 0.00 0.00 0.0000 0.5662
+f_cyan_ilr_2 10.32 0.00 0.00 0.0000 0.0000
+f_JCZ38_qlogis 0.00 12.23 0.00 0.0000 0.0000
+f_JSE76_qlogis 0.00 0.00 14.99 0.0000 0.0000
+log_alpha 0.00 0.00 0.00 0.3924 0.0000
+log_beta 0.00 0.00 0.00 0.0000 0.5639
Starting values for error model parameters:
a.1 b.1
@@ -4825,76 +4523,76 @@ Results:
Likelihood computed by importance sampling
AIC BIC logLik
- 2251 2244 -1106
+ 2249 2242 -1106
Optimised parameters:
- est. lower upper
-cyan_0 101.05768 NA NA
-log_k_JCZ38 -2.73252 NA NA
-log_k_J9Z38 -5.07399 NA NA
-log_k_JSE76 -3.52863 NA NA
-f_cyan_ilr_1 0.72176 NA NA
-f_cyan_ilr_2 1.34610 NA NA
-f_JCZ38_qlogis 2.08337 NA NA
-f_JSE76_qlogis 1590.31880 NA NA
-log_alpha -0.09336 NA NA
-log_beta 3.10191 NA NA
-a.1 2.08557 1.85439 2.31675
-b.1 0.06998 0.05800 0.08197
-SD.log_k_JCZ38 1.20053 0.43329 1.96777
-SD.log_k_J9Z38 0.85854 0.26708 1.45000
-SD.log_k_JSE76 0.62528 0.16061 1.08995
-SD.f_cyan_ilr_1 0.35190 0.12340 0.58039
-SD.f_cyan_ilr_2 0.85385 0.15391 1.55378
-SD.log_alpha 0.28971 0.08718 0.49225
-SD.log_beta 0.31614 0.05938 0.57290
+ est. lower upper
+cyan_0 101.24524 NA NA
+log_k_JCZ38 -2.85375 NA NA
+log_k_J9Z38 -5.07729 NA NA
+log_k_JSE76 -3.53511 NA NA
+f_cyan_ilr_1 0.67478 NA NA
+f_cyan_ilr_2 0.97152 NA NA
+f_JCZ38_qlogis 213.48001 NA NA
+f_JSE76_qlogis 2.02040 NA NA
+log_alpha -0.11041 NA NA
+log_beta 3.06575 NA NA
+a.1 2.05279 1.82393 2.28166
+b.1 0.07116 0.05910 0.08322
+SD.log_k_JCZ38 1.21713 0.44160 1.99266
+SD.log_k_J9Z38 0.88268 0.27541 1.48995
+SD.log_k_JSE76 0.59452 0.15005 1.03898
+SD.f_cyan_ilr_1 0.35370 0.12409 0.58331
+SD.f_cyan_ilr_2 0.78186 0.18547 1.37824
+SD.log_alpha 0.27781 0.08168 0.47394
+SD.log_beta 0.32608 0.06490 0.58726
Correlation is not available
Random effects:
est. lower upper
-SD.log_k_JCZ38 1.2005 0.43329 1.9678
-SD.log_k_J9Z38 0.8585 0.26708 1.4500
-SD.log_k_JSE76 0.6253 0.16061 1.0900
-SD.f_cyan_ilr_1 0.3519 0.12340 0.5804
-SD.f_cyan_ilr_2 0.8538 0.15391 1.5538
-SD.log_alpha 0.2897 0.08718 0.4923
-SD.log_beta 0.3161 0.05938 0.5729
+SD.log_k_JCZ38 1.2171 0.44160 1.9927
+SD.log_k_J9Z38 0.8827 0.27541 1.4900
+SD.log_k_JSE76 0.5945 0.15005 1.0390
+SD.f_cyan_ilr_1 0.3537 0.12409 0.5833
+SD.f_cyan_ilr_2 0.7819 0.18547 1.3782
+SD.log_alpha 0.2778 0.08168 0.4739
+SD.log_beta 0.3261 0.06490 0.5873
Variance model:
- est. lower upper
-a.1 2.08557 1.854 2.31675
-b.1 0.06998 0.058 0.08197
+ est. lower upper
+a.1 2.05279 1.8239 2.28166
+b.1 0.07116 0.0591 0.08322
Backtransformed parameters:
est. lower upper
-cyan_0 1.011e+02 NA NA
-k_JCZ38 6.506e-02 NA NA
-k_J9Z38 6.257e-03 NA NA
-k_JSE76 2.935e-02 NA NA
-f_cyan_to_JCZ38 6.776e-01 NA NA
-f_cyan_to_J9Z38 2.442e-01 NA NA
-f_JCZ38_to_JSE76 8.893e-01 NA NA
-f_JSE76_to_JCZ38 1.000e+00 NA NA
-alpha 9.109e-01 NA NA
-beta 2.224e+01 NA NA
+cyan_0 1.012e+02 NA NA
+k_JCZ38 5.763e-02 NA NA
+k_J9Z38 6.237e-03 NA NA
+k_JSE76 2.916e-02 NA NA
+f_cyan_to_JCZ38 6.354e-01 NA NA
+f_cyan_to_J9Z38 2.447e-01 NA NA
+f_JCZ38_to_JSE76 1.000e+00 NA NA
+f_JSE76_to_JCZ38 8.829e-01 NA NA
+alpha 8.955e-01 NA NA
+beta 2.145e+01 NA NA
Resulting formation fractions:
- ff
-cyan_JCZ38 0.67761
-cyan_J9Z38 0.24417
-cyan_sink 0.07822
-JCZ38_JSE76 0.88928
-JCZ38_sink 0.11072
-JSE76_JCZ38 1.00000
-JSE76_sink 0.00000
+ ff
+cyan_JCZ38 0.6354
+cyan_J9Z38 0.2447
+cyan_sink 0.1200
+JCZ38_JSE76 1.0000
+JCZ38_sink 0.0000
+JSE76_JCZ38 0.8829
+JSE76_sink 0.1171
Estimated disappearance times:
DT50 DT90 DT50back
-cyan 25.36 256.37 77.18
-JCZ38 10.65 35.39 NA
-J9Z38 110.77 367.98 NA
-JSE76 23.62 78.47 NA
+cyan 25.07 259.21 78.03
+JCZ38 12.03 39.96 NA
+J9Z38 111.14 369.19 NA
+JSE76 23.77 78.98 NA
</code></pre>
<p></p>
@@ -4904,10 +4602,10 @@ variance
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 08:16:32 2023
-Date of summary: Thu Apr 20 20:01:31 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:57:10 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *
@@ -4927,25 +4625,25 @@ Data:
Model predictions using solution type deSolve
-Fitted in 900.061 s
+Fitted in 843.793 s
Using 300, 100 iterations and 10 chains
Variance model: Constant variance
Starting values for degradation parameters:
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
- 102.4358 -2.3107 -5.3123 -3.7120 0.6753
+ 102.4380 -2.3107 -5.3123 -3.7120 0.6757
f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis log_k1 log_k2
- 1.1462 12.4095 12.3630 -1.9317 -4.4557
+ 1.1439 13.1194 12.3492 -1.9317 -4.4557
g_qlogis
- -0.5648
+ -0.5644
Fixed degradation parameter values:
None
Starting values for random effects (square root of initial entries in omega):
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
-cyan_0 4.594 0.0000 0.000 0.0 0.0000
+cyan_0 4.591 0.0000 0.000 0.0 0.0000
log_k_JCZ38 0.000 0.7966 0.000 0.0 0.0000
log_k_J9Z38 0.000 0.0000 1.561 0.0 0.0000
log_k_JSE76 0.000 0.0000 0.000 0.8 0.0000
@@ -4957,17 +4655,17 @@ log_k1 0.000 0.0000 0.000 0.0 0.0000
log_k2 0.000 0.0000 0.000 0.0 0.0000
g_qlogis 0.000 0.0000 0.000 0.0 0.0000
f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis log_k1 log_k2
-cyan_0 0.000 0.00 0.0 0.000 0.0000
-log_k_JCZ38 0.000 0.00 0.0 0.000 0.0000
-log_k_J9Z38 0.000 0.00 0.0 0.000 0.0000
-log_k_JSE76 0.000 0.00 0.0 0.000 0.0000
-f_cyan_ilr_1 0.000 0.00 0.0 0.000 0.0000
-f_cyan_ilr_2 1.797 0.00 0.0 0.000 0.0000
-f_JCZ38_qlogis 0.000 13.85 0.0 0.000 0.0000
-f_JSE76_qlogis 0.000 0.00 14.1 0.000 0.0000
-log_k1 0.000 0.00 0.0 1.106 0.0000
-log_k2 0.000 0.00 0.0 0.000 0.6141
-g_qlogis 0.000 0.00 0.0 0.000 0.0000
+cyan_0 0.000 0.00 0.00 0.000 0.0000
+log_k_JCZ38 0.000 0.00 0.00 0.000 0.0000
+log_k_J9Z38 0.000 0.00 0.00 0.000 0.0000
+log_k_JSE76 0.000 0.00 0.00 0.000 0.0000
+f_cyan_ilr_1 0.000 0.00 0.00 0.000 0.0000
+f_cyan_ilr_2 1.797 0.00 0.00 0.000 0.0000
+f_JCZ38_qlogis 0.000 13.86 0.00 0.000 0.0000
+f_JSE76_qlogis 0.000 0.00 13.91 0.000 0.0000
+log_k1 0.000 0.00 0.00 1.106 0.0000
+log_k2 0.000 0.00 0.00 0.000 0.6141
+g_qlogis 0.000 0.00 0.00 0.000 0.0000
g_qlogis
cyan_0 0.000
log_k_JCZ38 0.000
@@ -4993,74 +4691,74 @@ Likelihood computed by importance sampling
Optimised parameters:
est. lower upper
-cyan_0 102.5254 NA NA
-log_k_JCZ38 -2.9358 NA NA
-log_k_J9Z38 -5.1424 NA NA
-log_k_JSE76 -3.6458 NA NA
-f_cyan_ilr_1 0.6957 NA NA
-f_cyan_ilr_2 0.6635 NA NA
-f_JCZ38_qlogis 4984.8163 NA NA
-f_JSE76_qlogis 1.9415 NA NA
-log_k1 -1.9456 NA NA
-log_k2 -4.4705 NA NA
-g_qlogis -0.5117 NA NA
-a.1 2.7455 2.55392 2.9370
-SD.log_k_JCZ38 1.3163 0.47635 2.1563
-SD.log_k_J9Z38 0.7162 0.16133 1.2711
-SD.log_k_JSE76 0.6457 0.15249 1.1390
-SD.f_cyan_ilr_1 0.3424 0.11714 0.5677
-SD.f_cyan_ilr_2 0.4524 0.09709 0.8077
-SD.log_k1 0.7353 0.25445 1.2161
-SD.log_k2 0.5137 0.18206 0.8453
-SD.g_qlogis 0.9857 0.35651 1.6148
+cyan_0 102.6036 NA NA
+log_k_JCZ38 -2.9348 NA NA
+log_k_J9Z38 -5.1617 NA NA
+log_k_JSE76 -3.6396 NA NA
+f_cyan_ilr_1 0.6991 NA NA
+f_cyan_ilr_2 0.6341 NA NA
+f_JCZ38_qlogis 4232.3011 NA NA
+f_JSE76_qlogis 1.9658 NA NA
+log_k1 -1.9503 NA NA
+log_k2 -4.4745 NA NA
+g_qlogis -0.4967 NA NA
+a.1 2.7461 2.59274 2.8994
+SD.log_k_JCZ38 1.3178 0.47602 2.1596
+SD.log_k_J9Z38 0.7022 0.15061 1.2538
+SD.log_k_JSE76 0.6566 0.15613 1.1570
+SD.f_cyan_ilr_1 0.3409 0.11666 0.5652
+SD.f_cyan_ilr_2 0.4385 0.09482 0.7821
+SD.log_k1 0.7381 0.25599 1.2202
+SD.log_k2 0.5133 0.18152 0.8450
+SD.g_qlogis 0.9866 0.35681 1.6164
Correlation is not available
Random effects:
est. lower upper
-SD.log_k_JCZ38 1.3163 0.47635 2.1563
-SD.log_k_J9Z38 0.7162 0.16133 1.2711
-SD.log_k_JSE76 0.6457 0.15249 1.1390
-SD.f_cyan_ilr_1 0.3424 0.11714 0.5677
-SD.f_cyan_ilr_2 0.4524 0.09709 0.8077
-SD.log_k1 0.7353 0.25445 1.2161
-SD.log_k2 0.5137 0.18206 0.8453
-SD.g_qlogis 0.9857 0.35651 1.6148
+SD.log_k_JCZ38 1.3178 0.47602 2.1596
+SD.log_k_J9Z38 0.7022 0.15061 1.2538
+SD.log_k_JSE76 0.6566 0.15613 1.1570
+SD.f_cyan_ilr_1 0.3409 0.11666 0.5652
+SD.f_cyan_ilr_2 0.4385 0.09482 0.7821
+SD.log_k1 0.7381 0.25599 1.2202
+SD.log_k2 0.5133 0.18152 0.8450
+SD.g_qlogis 0.9866 0.35681 1.6164
Variance model:
est. lower upper
-a.1 2.745 2.554 2.937
+a.1 2.746 2.593 2.899
Backtransformed parameters:
est. lower upper
-cyan_0 1.025e+02 NA NA
-k_JCZ38 5.309e-02 NA NA
-k_J9Z38 5.844e-03 NA NA
-k_JSE76 2.610e-02 NA NA
-f_cyan_to_JCZ38 6.079e-01 NA NA
-f_cyan_to_J9Z38 2.272e-01 NA NA
+cyan_0 1.026e+02 NA NA
+k_JCZ38 5.314e-02 NA NA
+k_J9Z38 5.732e-03 NA NA
+k_JSE76 2.626e-02 NA NA
+f_cyan_to_JCZ38 6.051e-01 NA NA
+f_cyan_to_J9Z38 2.251e-01 NA NA
f_JCZ38_to_JSE76 1.000e+00 NA NA
-f_JSE76_to_JCZ38 8.745e-01 NA NA
-k1 1.429e-01 NA NA
-k2 1.144e-02 NA NA
-g 3.748e-01 NA NA
+f_JSE76_to_JCZ38 8.772e-01 NA NA
+k1 1.422e-01 NA NA
+k2 1.140e-02 NA NA
+g 3.783e-01 NA NA
Resulting formation fractions:
ff
-cyan_JCZ38 0.6079
-cyan_J9Z38 0.2272
-cyan_sink 0.1649
+cyan_JCZ38 0.6051
+cyan_J9Z38 0.2251
+cyan_sink 0.1698
JCZ38_JSE76 1.0000
JCZ38_sink 0.0000
-JSE76_JCZ38 0.8745
-JSE76_sink 0.1255
+JSE76_JCZ38 0.8772
+JSE76_sink 0.1228
Estimated disappearance times:
DT50 DT90 DT50back DT50_k1 DT50_k2
-cyan 22.29 160.20 48.22 4.85 60.58
-JCZ38 13.06 43.37 NA NA NA
-J9Z38 118.61 394.02 NA NA NA
-JSE76 26.56 88.22 NA NA NA
+cyan 22.05 160.35 48.27 4.873 60.83
+JCZ38 13.04 43.33 NA NA NA
+J9Z38 120.93 401.73 NA NA NA
+JSE76 26.39 87.68 NA NA NA
</code></pre>
<p></p>
@@ -5070,10 +4768,10 @@ error
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 08:16:47 2023
-Date of summary: Thu Apr 20 20:01:31 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:57:32 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *
@@ -5093,59 +4791,59 @@ Data:
Model predictions using solution type deSolve
-Fitted in 914.763 s
+Fitted in 865.636 s
Using 300, 100 iterations and 10 chains
Variance model: Two-component variance function
Starting values for degradation parameters:
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
- 101.7523 -1.5948 -5.0119 -2.2723 0.6719
+ 101.7393 -1.4493 -5.0118 -2.1269 0.6720
f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis log_k1 log_k2
- 5.1681 12.8238 12.4130 -2.0057 -4.5526
+ 7.3362 13.4423 13.2659 -2.0061 -4.5527
g_qlogis
- -0.5805
+ -0.5806
Fixed degradation parameter values:
None
Starting values for random effects (square root of initial entries in omega):
cyan_0 log_k_JCZ38 log_k_J9Z38 log_k_JSE76 f_cyan_ilr_1
-cyan_0 5.627 0.000 0.000 0.000 0.0000
-log_k_JCZ38 0.000 2.327 0.000 0.000 0.0000
-log_k_J9Z38 0.000 0.000 1.664 0.000 0.0000
-log_k_JSE76 0.000 0.000 0.000 4.566 0.0000
-f_cyan_ilr_1 0.000 0.000 0.000 0.000 0.6519
-f_cyan_ilr_2 0.000 0.000 0.000 0.000 0.0000
-f_JCZ38_qlogis 0.000 0.000 0.000 0.000 0.0000
-f_JSE76_qlogis 0.000 0.000 0.000 0.000 0.0000
-log_k1 0.000 0.000 0.000 0.000 0.0000
-log_k2 0.000 0.000 0.000 0.000 0.0000
-g_qlogis 0.000 0.000 0.000 0.000 0.0000
+cyan_0 5.604 0.00 0.000 0.000 0.0000
+log_k_JCZ38 0.000 2.77 0.000 0.000 0.0000
+log_k_J9Z38 0.000 0.00 1.662 0.000 0.0000
+log_k_JSE76 0.000 0.00 0.000 5.021 0.0000
+f_cyan_ilr_1 0.000 0.00 0.000 0.000 0.6519
+f_cyan_ilr_2 0.000 0.00 0.000 0.000 0.0000
+f_JCZ38_qlogis 0.000 0.00 0.000 0.000 0.0000
+f_JSE76_qlogis 0.000 0.00 0.000 0.000 0.0000
+log_k1 0.000 0.00 0.000 0.000 0.0000
+log_k2 0.000 0.00 0.000 0.000 0.0000
+g_qlogis 0.000 0.00 0.000 0.000 0.0000
f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis log_k1 log_k2
-cyan_0 0.0 0.00 0.00 0.0000 0.0000
-log_k_JCZ38 0.0 0.00 0.00 0.0000 0.0000
-log_k_J9Z38 0.0 0.00 0.00 0.0000 0.0000
-log_k_JSE76 0.0 0.00 0.00 0.0000 0.0000
-f_cyan_ilr_1 0.0 0.00 0.00 0.0000 0.0000
-f_cyan_ilr_2 10.1 0.00 0.00 0.0000 0.0000
-f_JCZ38_qlogis 0.0 13.99 0.00 0.0000 0.0000
-f_JSE76_qlogis 0.0 0.00 14.15 0.0000 0.0000
-log_k1 0.0 0.00 0.00 0.8452 0.0000
-log_k2 0.0 0.00 0.00 0.0000 0.5968
-g_qlogis 0.0 0.00 0.00 0.0000 0.0000
+cyan_0 0.00 0.00 0.00 0.0000 0.0000
+log_k_JCZ38 0.00 0.00 0.00 0.0000 0.0000
+log_k_J9Z38 0.00 0.00 0.00 0.0000 0.0000
+log_k_JSE76 0.00 0.00 0.00 0.0000 0.0000
+f_cyan_ilr_1 0.00 0.00 0.00 0.0000 0.0000
+f_cyan_ilr_2 13.37 0.00 0.00 0.0000 0.0000
+f_JCZ38_qlogis 0.00 14.21 0.00 0.0000 0.0000
+f_JSE76_qlogis 0.00 0.00 14.58 0.0000 0.0000
+log_k1 0.00 0.00 0.00 0.8453 0.0000
+log_k2 0.00 0.00 0.00 0.0000 0.5969
+g_qlogis 0.00 0.00 0.00 0.0000 0.0000
g_qlogis
-cyan_0 0.000
-log_k_JCZ38 0.000
-log_k_J9Z38 0.000
-log_k_JSE76 0.000
-f_cyan_ilr_1 0.000
-f_cyan_ilr_2 0.000
-f_JCZ38_qlogis 0.000
-f_JSE76_qlogis 0.000
-log_k1 0.000
-log_k2 0.000
-g_qlogis 1.691
+cyan_0 0.00
+log_k_JCZ38 0.00
+log_k_J9Z38 0.00
+log_k_JSE76 0.00
+f_cyan_ilr_1 0.00
+f_cyan_ilr_2 0.00
+f_JCZ38_qlogis 0.00
+f_JSE76_qlogis 0.00
+log_k1 0.00
+log_k2 0.00
+g_qlogis 1.69
Starting values for error model parameters:
a.1 b.1
@@ -5155,78 +4853,78 @@ Results:
Likelihood computed by importance sampling
AIC BIC logLik
- 2232 2224 -1096
+ 2237 2229 -1099
Optimised parameters:
est. lower upper
-cyan_0 101.20051 NA NA
-log_k_JCZ38 -2.93542 NA NA
-log_k_J9Z38 -5.03151 NA NA
-log_k_JSE76 -3.67679 NA NA
-f_cyan_ilr_1 0.67290 NA NA
-f_cyan_ilr_2 0.99787 NA NA
-f_JCZ38_qlogis 348.32484 NA NA
-f_JSE76_qlogis 1.87846 NA NA
-log_k1 -2.32738 NA NA
-log_k2 -4.61295 NA NA
-g_qlogis -0.38342 NA NA
-a.1 2.06184 1.83746 2.28622
-b.1 0.06329 0.05211 0.07447
-SD.log_k_JCZ38 1.29042 0.47468 2.10617
-SD.log_k_J9Z38 0.84235 0.25903 1.42566
-SD.log_k_JSE76 0.56930 0.13934 0.99926
-SD.f_cyan_ilr_1 0.35183 0.12298 0.58068
-SD.f_cyan_ilr_2 0.77269 0.17908 1.36631
-SD.log_k2 0.28549 0.09210 0.47888
-SD.g_qlogis 0.93830 0.34568 1.53093
+cyan_0 101.00243 NA NA
+log_k_JCZ38 -2.80828 NA NA
+log_k_J9Z38 -5.04449 NA NA
+log_k_JSE76 -3.66981 NA NA
+f_cyan_ilr_1 0.72564 NA NA
+f_cyan_ilr_2 1.37978 NA NA
+f_JCZ38_qlogis 1.98726 NA NA
+f_JSE76_qlogis 414.80884 NA NA
+log_k1 -2.38601 NA NA
+log_k2 -4.63632 NA NA
+g_qlogis -0.33920 NA NA
+a.1 2.10837 1.88051 2.33623
+b.1 0.06223 0.05108 0.07338
+SD.log_k_JCZ38 1.30902 0.48128 2.13675
+SD.log_k_J9Z38 0.83882 0.25790 1.41974
+SD.log_k_JSE76 0.58104 0.14201 1.02008
+SD.f_cyan_ilr_1 0.35421 0.12398 0.58443
+SD.f_cyan_ilr_2 0.79373 0.12007 1.46740
+SD.log_k2 0.27476 0.08557 0.46394
+SD.g_qlogis 0.96170 0.35463 1.56878
Correlation is not available
Random effects:
- est. lower upper
-SD.log_k_JCZ38 1.2904 0.4747 2.1062
-SD.log_k_J9Z38 0.8423 0.2590 1.4257
-SD.log_k_JSE76 0.5693 0.1393 0.9993
-SD.f_cyan_ilr_1 0.3518 0.1230 0.5807
-SD.f_cyan_ilr_2 0.7727 0.1791 1.3663
-SD.log_k2 0.2855 0.0921 0.4789
-SD.g_qlogis 0.9383 0.3457 1.5309
+ est. lower upper
+SD.log_k_JCZ38 1.3090 0.48128 2.1367
+SD.log_k_J9Z38 0.8388 0.25790 1.4197
+SD.log_k_JSE76 0.5810 0.14201 1.0201
+SD.f_cyan_ilr_1 0.3542 0.12398 0.5844
+SD.f_cyan_ilr_2 0.7937 0.12007 1.4674
+SD.log_k2 0.2748 0.08557 0.4639
+SD.g_qlogis 0.9617 0.35463 1.5688
Variance model:
est. lower upper
-a.1 2.06184 1.83746 2.28622
-b.1 0.06329 0.05211 0.07447
+a.1 2.10837 1.88051 2.33623
+b.1 0.06223 0.05108 0.07338
Backtransformed parameters:
est. lower upper
-cyan_0 1.012e+02 NA NA
-k_JCZ38 5.311e-02 NA NA
-k_J9Z38 6.529e-03 NA NA
-k_JSE76 2.530e-02 NA NA
-f_cyan_to_JCZ38 6.373e-01 NA NA
-f_cyan_to_J9Z38 2.461e-01 NA NA
-f_JCZ38_to_JSE76 1.000e+00 NA NA
-f_JSE76_to_JCZ38 8.674e-01 NA NA
-k1 9.755e-02 NA NA
-k2 9.922e-03 NA NA
-g 4.053e-01 NA NA
+cyan_0 1.010e+02 NA NA
+k_JCZ38 6.031e-02 NA NA
+k_J9Z38 6.445e-03 NA NA
+k_JSE76 2.548e-02 NA NA
+f_cyan_to_JCZ38 6.808e-01 NA NA
+f_cyan_to_J9Z38 2.440e-01 NA NA
+f_JCZ38_to_JSE76 8.795e-01 NA NA
+f_JSE76_to_JCZ38 1.000e+00 NA NA
+k1 9.200e-02 NA NA
+k2 9.693e-03 NA NA
+g 4.160e-01 NA NA
Resulting formation fractions:
- ff
-cyan_JCZ38 0.6373
-cyan_J9Z38 0.2461
-cyan_sink 0.1167
-JCZ38_JSE76 1.0000
-JCZ38_sink 0.0000
-JSE76_JCZ38 0.8674
-JSE76_sink 0.1326
+ ff
+cyan_JCZ38 0.68081
+cyan_J9Z38 0.24398
+cyan_sink 0.07521
+JCZ38_JSE76 0.87945
+JCZ38_sink 0.12055
+JSE76_JCZ38 1.00000
+JSE76_sink 0.00000
Estimated disappearance times:
DT50 DT90 DT50back DT50_k1 DT50_k2
-cyan 24.93 179.68 54.09 7.105 69.86
-JCZ38 13.05 43.36 NA NA NA
-J9Z38 106.16 352.67 NA NA NA
-JSE76 27.39 91.00 NA NA NA
+cyan 25.00 182.05 54.8 7.535 71.51
+JCZ38 11.49 38.18 NA NA NA
+J9Z38 107.55 357.28 NA NA NA
+JSE76 27.20 90.36 NA NA NA
</code></pre>
<p></p>
@@ -5236,10 +4934,10 @@ variance
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 08:16:33 2023
-Date of summary: Thu Apr 20 20:01:31 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:57:01 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan_free/dt = - k_cyan_free * cyan_free - k_cyan_free_bound *
@@ -5257,20 +4955,20 @@ Data:
Model predictions using solution type deSolve
-Fitted in 901.179 s
+Fitted in 834.906 s
Using 300, 100 iterations and 10 chains
Variance model: Constant variance
Starting values for degradation parameters:
cyan_free_0 log_k_cyan_free log_k_cyan_free_bound
- 102.4394 -2.7673 -2.8942
+ 102.4395 -2.7673 -2.8942
log_k_cyan_bound_free log_k_JCZ38 log_k_J9Z38
-3.6201 -2.3107 -5.3123
log_k_JSE76 f_cyan_ilr_1 f_cyan_ilr_2
-3.7120 0.6754 1.1448
f_JCZ38_qlogis f_JSE76_qlogis
- 13.2672 13.3538
+ 14.8408 15.4734
Fixed degradation parameter values:
None
@@ -5301,17 +4999,17 @@ f_cyan_ilr_2 0.000 0.0000 0.000 0.0
f_JCZ38_qlogis 0.000 0.0000 0.000 0.0
f_JSE76_qlogis 0.000 0.0000 0.000 0.0
f_cyan_ilr_1 f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis
-cyan_free_0 0.0000 0.000 0.00 0.00
-log_k_cyan_free 0.0000 0.000 0.00 0.00
-log_k_cyan_free_bound 0.0000 0.000 0.00 0.00
-log_k_cyan_bound_free 0.0000 0.000 0.00 0.00
-log_k_JCZ38 0.0000 0.000 0.00 0.00
-log_k_J9Z38 0.0000 0.000 0.00 0.00
-log_k_JSE76 0.0000 0.000 0.00 0.00
-f_cyan_ilr_1 0.6349 0.000 0.00 0.00
-f_cyan_ilr_2 0.0000 1.797 0.00 0.00
-f_JCZ38_qlogis 0.0000 0.000 13.84 0.00
-f_JSE76_qlogis 0.0000 0.000 0.00 14.66
+cyan_free_0 0.0000 0.000 0.0 0.00
+log_k_cyan_free 0.0000 0.000 0.0 0.00
+log_k_cyan_free_bound 0.0000 0.000 0.0 0.00
+log_k_cyan_bound_free 0.0000 0.000 0.0 0.00
+log_k_JCZ38 0.0000 0.000 0.0 0.00
+log_k_J9Z38 0.0000 0.000 0.0 0.00
+log_k_JSE76 0.0000 0.000 0.0 0.00
+f_cyan_ilr_1 0.6349 0.000 0.0 0.00
+f_cyan_ilr_2 0.0000 1.797 0.0 0.00
+f_JCZ38_qlogis 0.0000 0.000 15.6 0.00
+f_JSE76_qlogis 0.0000 0.000 0.0 17.52
Starting values for error model parameters:
a.1
@@ -5321,83 +5019,83 @@ Results:
Likelihood computed by importance sampling
AIC BIC logLik
- 2279 2272 -1120
+ 2280 2272 -1120
Optimised parameters:
est. lower upper
-cyan_free_0 102.5621 NA NA
-log_k_cyan_free -2.8531 NA NA
-log_k_cyan_free_bound -2.6916 NA NA
-log_k_cyan_bound_free -3.5032 NA NA
-log_k_JCZ38 -2.9436 NA NA
-log_k_J9Z38 -5.1140 NA NA
-log_k_JSE76 -3.6472 NA NA
-f_cyan_ilr_1 0.6887 NA NA
-f_cyan_ilr_2 0.6874 NA NA
-f_JCZ38_qlogis 4063.6389 NA NA
-f_JSE76_qlogis 1.9556 NA NA
-a.1 2.7460 2.55451 2.9376
-SD.log_k_cyan_free 0.3131 0.09841 0.5277
-SD.log_k_cyan_free_bound 0.8850 0.29909 1.4710
-SD.log_k_cyan_bound_free 0.6167 0.20391 1.0295
-SD.log_k_JCZ38 1.3555 0.49101 2.2200
-SD.log_k_J9Z38 0.7200 0.16166 1.2783
-SD.log_k_JSE76 0.6252 0.14619 1.1042
-SD.f_cyan_ilr_1 0.3386 0.11447 0.5627
-SD.f_cyan_ilr_2 0.4699 0.09810 0.8417
+cyan_free_0 102.6532 NA NA
+log_k_cyan_free -2.8547 NA NA
+log_k_cyan_free_bound -2.7004 NA NA
+log_k_cyan_bound_free -3.5078 NA NA
+log_k_JCZ38 -2.9255 NA NA
+log_k_J9Z38 -5.1089 NA NA
+log_k_JSE76 -3.6263 NA NA
+f_cyan_ilr_1 0.6873 NA NA
+f_cyan_ilr_2 0.6498 NA NA
+f_JCZ38_qlogis 3624.2149 NA NA
+f_JSE76_qlogis 1.9991 NA NA
+a.1 2.7472 2.55559 2.9388
+SD.log_k_cyan_free 0.3227 0.10296 0.5423
+SD.log_k_cyan_free_bound 0.8757 0.29525 1.4562
+SD.log_k_cyan_bound_free 0.6128 0.20220 1.0233
+SD.log_k_JCZ38 1.3431 0.48474 2.2014
+SD.log_k_J9Z38 0.6881 0.14714 1.2291
+SD.log_k_JSE76 0.6461 0.15321 1.1390
+SD.f_cyan_ilr_1 0.3361 0.11376 0.5585
+SD.f_cyan_ilr_2 0.4286 0.08419 0.7730
Correlation is not available
Random effects:
est. lower upper
-SD.log_k_cyan_free 0.3131 0.09841 0.5277
-SD.log_k_cyan_free_bound 0.8850 0.29909 1.4710
-SD.log_k_cyan_bound_free 0.6167 0.20391 1.0295
-SD.log_k_JCZ38 1.3555 0.49101 2.2200
-SD.log_k_J9Z38 0.7200 0.16166 1.2783
-SD.log_k_JSE76 0.6252 0.14619 1.1042
-SD.f_cyan_ilr_1 0.3386 0.11447 0.5627
-SD.f_cyan_ilr_2 0.4699 0.09810 0.8417
+SD.log_k_cyan_free 0.3227 0.10296 0.5423
+SD.log_k_cyan_free_bound 0.8757 0.29525 1.4562
+SD.log_k_cyan_bound_free 0.6128 0.20220 1.0233
+SD.log_k_JCZ38 1.3431 0.48474 2.2014
+SD.log_k_J9Z38 0.6881 0.14714 1.2291
+SD.log_k_JSE76 0.6461 0.15321 1.1390
+SD.f_cyan_ilr_1 0.3361 0.11376 0.5585
+SD.f_cyan_ilr_2 0.4286 0.08419 0.7730
Variance model:
est. lower upper
-a.1 2.746 2.555 2.938
+a.1 2.747 2.556 2.939
Backtransformed parameters:
est. lower upper
-cyan_free_0 1.026e+02 NA NA
-k_cyan_free 5.767e-02 NA NA
-k_cyan_free_bound 6.777e-02 NA NA
-k_cyan_bound_free 3.010e-02 NA NA
-k_JCZ38 5.267e-02 NA NA
-k_J9Z38 6.012e-03 NA NA
-k_JSE76 2.606e-02 NA NA
-f_cyan_free_to_JCZ38 6.089e-01 NA NA
-f_cyan_free_to_J9Z38 2.299e-01 NA NA
+cyan_free_0 1.027e+02 NA NA
+k_cyan_free 5.758e-02 NA NA
+k_cyan_free_bound 6.718e-02 NA NA
+k_cyan_bound_free 2.996e-02 NA NA
+k_JCZ38 5.364e-02 NA NA
+k_J9Z38 6.042e-03 NA NA
+k_JSE76 2.662e-02 NA NA
+f_cyan_free_to_JCZ38 6.039e-01 NA NA
+f_cyan_free_to_J9Z38 2.285e-01 NA NA
f_JCZ38_to_JSE76 1.000e+00 NA NA
-f_JSE76_to_JCZ38 8.761e-01 NA NA
+f_JSE76_to_JCZ38 8.807e-01 NA NA
Estimated Eigenvalues of SFORB model(s):
cyan_b1 cyan_b2 cyan_g
- 0.1434 0.0121 0.3469
+ 0.1426 0.0121 0.3484
Resulting formation fractions:
ff
-cyan_free_JCZ38 0.6089
-cyan_free_J9Z38 0.2299
-cyan_free_sink 0.1612
+cyan_free_JCZ38 0.6039
+cyan_free_J9Z38 0.2285
+cyan_free_sink 0.1676
cyan_free 1.0000
JCZ38_JSE76 1.0000
JCZ38_sink 0.0000
-JSE76_JCZ38 0.8761
-JSE76_sink 0.1239
+JSE76_JCZ38 0.8807
+JSE76_sink 0.1193
Estimated disappearance times:
DT50 DT90 DT50back DT50_cyan_b1 DT50_cyan_b2
-cyan 23.94 155.06 46.68 4.832 57.28
-JCZ38 13.16 43.71 NA NA NA
-J9Z38 115.30 383.02 NA NA NA
-JSE76 26.59 88.35 NA NA NA
+cyan 23.84 154.95 46.65 4.86 57.31
+JCZ38 12.92 42.93 NA NA NA
+J9Z38 114.71 381.07 NA NA NA
+JSE76 26.04 86.51 NA NA NA
</code></pre>
<p></p>
@@ -5407,10 +5105,10 @@ error
</caption>
<pre><code>
saemix version used for fitting: 3.2
-mkin version used for pre-fitting: 1.2.3
-R version used for fitting: 4.2.3
-Date of fit: Thu Apr 20 08:16:19 2023
-Date of summary: Thu Apr 20 20:01:31 2023
+mkin version used for pre-fitting: 1.2.4
+R version used for fitting: 4.3.0
+Date of fit: Fri May 19 09:57:17 2023
+Date of summary: Fri May 19 09:57:33 2023
Equations:
d_cyan_free/dt = - k_cyan_free * cyan_free - k_cyan_free_bound *
@@ -5428,20 +5126,20 @@ Data:
Model predictions using solution type deSolve
-Fitted in 887.343 s
+Fitted in 850.751 s
Using 300, 100 iterations and 10 chains
Variance model: Two-component variance function
Starting values for degradation parameters:
cyan_free_0 log_k_cyan_free log_k_cyan_free_bound
- 101.751 -2.837 -3.016
+ 101.7511 -2.8370 -3.0162
log_k_cyan_bound_free log_k_JCZ38 log_k_J9Z38
- -3.660 -2.299 -5.313
+ -3.6600 -2.2988 -5.3129
log_k_JSE76 f_cyan_ilr_1 f_cyan_ilr_2
- -3.699 0.672 5.873
+ -3.6991 0.6722 4.8596
f_JCZ38_qlogis f_JSE76_qlogis
- 13.216 13.338
+ 13.4678 14.2149
Fixed degradation parameter values:
None
@@ -5472,17 +5170,17 @@ f_cyan_ilr_2 0.000 0.0000 0.000 0.0000
f_JCZ38_qlogis 0.000 0.0000 0.000 0.0000
f_JSE76_qlogis 0.000 0.0000 0.000 0.0000
f_cyan_ilr_1 f_cyan_ilr_2 f_JCZ38_qlogis f_JSE76_qlogis
-cyan_free_0 0.0000 0.00 0.00 0.00
-log_k_cyan_free 0.0000 0.00 0.00 0.00
-log_k_cyan_free_bound 0.0000 0.00 0.00 0.00
-log_k_cyan_bound_free 0.0000 0.00 0.00 0.00
-log_k_JCZ38 0.0000 0.00 0.00 0.00
-log_k_J9Z38 0.0000 0.00 0.00 0.00
-log_k_JSE76 0.0000 0.00 0.00 0.00
-f_cyan_ilr_1 0.6519 0.00 0.00 0.00
-f_cyan_ilr_2 0.0000 10.78 0.00 0.00
-f_JCZ38_qlogis 0.0000 0.00 13.96 0.00
-f_JSE76_qlogis 0.0000 0.00 0.00 14.69
+cyan_free_0 0.0000 0.000 0.00 0.00
+log_k_cyan_free 0.0000 0.000 0.00 0.00
+log_k_cyan_free_bound 0.0000 0.000 0.00 0.00
+log_k_cyan_bound_free 0.0000 0.000 0.00 0.00
+log_k_JCZ38 0.0000 0.000 0.00 0.00
+log_k_J9Z38 0.0000 0.000 0.00 0.00
+log_k_JSE76 0.0000 0.000 0.00 0.00
+f_cyan_ilr_1 0.6518 0.000 0.00 0.00
+f_cyan_ilr_2 0.0000 9.981 0.00 0.00
+f_JCZ38_qlogis 0.0000 0.000 14.26 0.00
+f_JSE76_qlogis 0.0000 0.000 0.00 16.17
Starting values for error model parameters:
a.1 b.1
@@ -5492,83 +5190,83 @@ Results:
Likelihood computed by importance sampling
AIC BIC logLik
- 2236 2228 -1098
+ 2241 2233 -1101
Optimised parameters:
est. lower upper
-cyan_free_0 100.72760 NA NA
-log_k_cyan_free -3.18281 NA NA
-log_k_cyan_free_bound -3.37924 NA NA
-log_k_cyan_bound_free -3.77107 NA NA
-log_k_JCZ38 -2.92811 NA NA
-log_k_J9Z38 -5.02759 NA NA
-log_k_JSE76 -3.65835 NA NA
-f_cyan_ilr_1 0.67390 NA NA
-f_cyan_ilr_2 1.15106 NA NA
-f_JCZ38_qlogis 827.82299 NA NA
-f_JSE76_qlogis 1.83064 NA NA
-a.1 2.06921 1.84443 2.29399
-b.1 0.06391 0.05267 0.07515
-SD.log_k_cyan_free 0.50518 0.18962 0.82075
-SD.log_k_cyan_bound_free 0.30991 0.08170 0.53813
-SD.log_k_JCZ38 1.26661 0.46578 2.06744
-SD.log_k_J9Z38 0.88272 0.27813 1.48730
-SD.log_k_JSE76 0.53050 0.12561 0.93538
-SD.f_cyan_ilr_1 0.35547 0.12461 0.58633
-SD.f_cyan_ilr_2 0.91446 0.20131 1.62761
+cyan_free_0 100.95469 NA NA
+log_k_cyan_free -3.18706 NA NA
+log_k_cyan_free_bound -3.38455 NA NA
+log_k_cyan_bound_free -3.75788 NA NA
+log_k_JCZ38 -2.77024 NA NA
+log_k_J9Z38 -5.03665 NA NA
+log_k_JSE76 -3.60289 NA NA
+f_cyan_ilr_1 0.72263 NA NA
+f_cyan_ilr_2 1.45352 NA NA
+f_JCZ38_qlogis 2.00778 NA NA
+f_JSE76_qlogis 941.58570 NA NA
+a.1 2.11130 1.88299 2.33960
+b.1 0.06299 0.05176 0.07421
+SD.log_k_cyan_free 0.50098 0.18805 0.81390
+SD.log_k_cyan_bound_free 0.31671 0.08467 0.54875
+SD.log_k_JCZ38 1.25865 0.45932 2.05798
+SD.log_k_J9Z38 0.86833 0.27222 1.46444
+SD.log_k_JSE76 0.59325 0.14711 1.03940
+SD.f_cyan_ilr_1 0.35705 0.12521 0.58890
+SD.f_cyan_ilr_2 0.88541 0.13797 1.63286
Correlation is not available
Random effects:
- est. lower upper
-SD.log_k_cyan_free 0.5052 0.1896 0.8207
-SD.log_k_cyan_bound_free 0.3099 0.0817 0.5381
-SD.log_k_JCZ38 1.2666 0.4658 2.0674
-SD.log_k_J9Z38 0.8827 0.2781 1.4873
-SD.log_k_JSE76 0.5305 0.1256 0.9354
-SD.f_cyan_ilr_1 0.3555 0.1246 0.5863
-SD.f_cyan_ilr_2 0.9145 0.2013 1.6276
+ est. lower upper
+SD.log_k_cyan_free 0.5010 0.18805 0.8139
+SD.log_k_cyan_bound_free 0.3167 0.08467 0.5488
+SD.log_k_JCZ38 1.2587 0.45932 2.0580
+SD.log_k_J9Z38 0.8683 0.27222 1.4644
+SD.log_k_JSE76 0.5933 0.14711 1.0394
+SD.f_cyan_ilr_1 0.3571 0.12521 0.5889
+SD.f_cyan_ilr_2 0.8854 0.13797 1.6329
Variance model:
est. lower upper
-a.1 2.06921 1.84443 2.29399
-b.1 0.06391 0.05267 0.07515
+a.1 2.11130 1.88299 2.33960
+b.1 0.06299 0.05176 0.07421
Backtransformed parameters:
est. lower upper
-cyan_free_0 1.007e+02 NA NA
-k_cyan_free 4.147e-02 NA NA
-k_cyan_free_bound 3.407e-02 NA NA
-k_cyan_bound_free 2.303e-02 NA NA
-k_JCZ38 5.350e-02 NA NA
-k_J9Z38 6.555e-03 NA NA
-k_JSE76 2.578e-02 NA NA
-f_cyan_free_to_JCZ38 6.505e-01 NA NA
-f_cyan_free_to_J9Z38 2.508e-01 NA NA
-f_JCZ38_to_JSE76 1.000e+00 NA NA
-f_JSE76_to_JCZ38 8.618e-01 NA NA
+cyan_free_0 1.010e+02 NA NA
+k_cyan_free 4.129e-02 NA NA
+k_cyan_free_bound 3.389e-02 NA NA
+k_cyan_bound_free 2.333e-02 NA NA
+k_JCZ38 6.265e-02 NA NA
+k_J9Z38 6.495e-03 NA NA
+k_JSE76 2.724e-02 NA NA
+f_cyan_free_to_JCZ38 6.844e-01 NA NA
+f_cyan_free_to_J9Z38 2.463e-01 NA NA
+f_JCZ38_to_JSE76 8.816e-01 NA NA
+f_JSE76_to_JCZ38 1.000e+00 NA NA
Estimated Eigenvalues of SFORB model(s):
cyan_b1 cyan_b2 cyan_g
-0.08768 0.01089 0.39821
+0.08751 0.01101 0.39586
Resulting formation fractions:
ff
-cyan_free_JCZ38 0.65053
-cyan_free_J9Z38 0.25082
-cyan_free_sink 0.09864
+cyan_free_JCZ38 0.68444
+cyan_free_J9Z38 0.24633
+cyan_free_sink 0.06923
cyan_free 1.00000
-JCZ38_JSE76 1.00000
-JCZ38_sink 0.00000
-JSE76_JCZ38 0.86184
-JSE76_sink 0.13816
+JCZ38_JSE76 0.88161
+JCZ38_sink 0.11839
+JSE76_JCZ38 1.00000
+JSE76_sink 0.00000
Estimated disappearance times:
DT50 DT90 DT50back DT50_cyan_b1 DT50_cyan_b2
-cyan 25.32 164.79 49.61 7.906 63.64
-JCZ38 12.96 43.04 NA NA NA
-J9Z38 105.75 351.29 NA NA NA
-JSE76 26.89 89.33 NA NA NA
+cyan 25.36 163.36 49.18 7.921 62.95
+JCZ38 11.06 36.75 NA NA NA
+J9Z38 106.71 354.49 NA NA NA
+JSE76 25.44 84.51 NA NA NA
</code></pre>
<p></p>
@@ -5577,13 +5275,13 @@ JSE76 26.89 89.33 NA NA NA
<div class="section level3">
<h3 id="session-info">Session info<a class="anchor" aria-label="anchor" href="#session-info"></a>
</h3>
-<pre><code>R version 4.2.3 (2023-03-15)
+<pre><code>R version 4.3.0 Patched (2023-05-18 r84448)
Platform: x86_64-pc-linux-gnu (64-bit)
Running under: Debian GNU/Linux 12 (bookworm)
Matrix products: default
-BLAS: /usr/lib/x86_64-linux-gnu/openblas-serial/libblas.so.3
-LAPACK: /usr/lib/x86_64-linux-gnu/openblas-serial/libopenblas-r0.3.21.so
+BLAS: /home/jranke/svn/R/r-patched/build/lib/libRblas.so
+LAPACK: /usr/lib/x86_64-linux-gnu/openblas-serial/liblapack.so.3; LAPACK version 3.11.0
locale:
[1] LC_CTYPE=de_DE.UTF-8 LC_NUMERIC=C
@@ -5593,34 +5291,40 @@ locale:
[9] LC_ADDRESS=C LC_TELEPHONE=C
[11] LC_MEASUREMENT=de_DE.UTF-8 LC_IDENTIFICATION=C
+time zone: Europe/Berlin
+tzcode source: system (glibc)
+
attached base packages:
[1] parallel stats graphics grDevices utils datasets methods
[8] base
other attached packages:
-[1] saemix_3.2 npde_3.3 knitr_1.42 mkin_1.2.3
+[1] saemix_3.2 npde_3.3 knitr_1.42 mkin_1.2.4
loaded via a namespace (and not attached):
- [1] pillar_1.9.0 bslib_0.4.2 compiler_4.2.3 jquerylib_0.1.4
- [5] tools_4.2.3 mclust_6.0.0 digest_0.6.31 tibble_3.2.1
- [9] jsonlite_1.8.4 evaluate_0.20 memoise_2.0.1 lifecycle_1.0.3
-[13] nlme_3.1-162 gtable_0.3.3 lattice_0.21-8 pkgconfig_2.0.3
-[17] rlang_1.1.0 DBI_1.1.3 cli_3.6.1 yaml_2.3.7
-[21] pkgdown_2.0.7 xfun_0.38 fastmap_1.1.1 gridExtra_2.3
-[25] dplyr_1.1.1 stringr_1.5.0 generics_0.1.3 desc_1.4.2
-[29] fs_1.6.1 vctrs_0.6.1 sass_0.4.5 systemfonts_1.0.4
-[33] tidyselect_1.2.0 rprojroot_2.0.3 lmtest_0.9-40 grid_4.2.3
-[37] inline_0.3.19 glue_1.6.2 R6_2.5.1 textshaping_0.3.6
-[41] fansi_1.0.4 rmarkdown_2.21 purrr_1.0.1 ggplot2_3.4.2
-[45] magrittr_2.0.3 scales_1.2.1 htmltools_0.5.5 colorspace_2.1-0
-[49] ragg_1.2.5 utf8_1.2.3 stringi_1.7.12 munsell_0.5.0
-[53] cachem_1.0.7 zoo_1.8-12 </code></pre>
+ [1] sass_0.4.6 utf8_1.2.3 generics_0.1.3 stringi_1.7.12
+ [5] lattice_0.21-8 digest_0.6.31 magrittr_2.0.3 evaluate_0.21
+ [9] grid_4.3.0 fastmap_1.1.1 cellranger_1.1.0 rprojroot_2.0.3
+[13] jsonlite_1.8.4 processx_3.8.1 pkgbuild_1.4.0 deSolve_1.35
+[17] DBI_1.1.3 mclust_6.0.0 ps_1.7.5 gridExtra_2.3
+[21] purrr_1.0.1 fansi_1.0.4 scales_1.2.1 codetools_0.2-19
+[25] textshaping_0.3.6 jquerylib_0.1.4 cli_3.6.1 crayon_1.5.2
+[29] rlang_1.1.1 munsell_0.5.0 cachem_1.0.8 yaml_2.3.7
+[33] inline_0.3.19 tools_4.3.0 memoise_2.0.1 dplyr_1.1.2
+[37] colorspace_2.1-0 ggplot2_3.4.2 vctrs_0.6.2 R6_2.5.1
+[41] zoo_1.8-12 lifecycle_1.0.3 stringr_1.5.0 fs_1.6.2
+[45] ragg_1.2.5 callr_3.7.3 pkgconfig_2.0.3 desc_1.4.2
+[49] pkgdown_2.0.7 bslib_0.4.2 pillar_1.9.0 gtable_0.3.3
+[53] glue_1.6.2 systemfonts_1.0.4 highr_0.10 xfun_0.39
+[57] tibble_3.2.1 lmtest_0.9-40 tidyselect_1.2.0 htmltools_0.5.5
+[61] nlme_3.1-162 rmarkdown_2.21 compiler_4.3.0 prettyunits_1.1.1
+[65] readxl_1.4.2 </code></pre>
</div>
<div class="section level3">
<h3 id="hardware-info">Hardware info<a class="anchor" aria-label="anchor" href="#hardware-info"></a>
</h3>
<pre><code>CPU model: AMD Ryzen 9 7950X 16-Core Processor</code></pre>
-<pre><code>MemTotal: 64936316 kB</code></pre>
+<pre><code>MemTotal: 64925476 kB</code></pre>
</div>
</div>
</div>

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