diff options
| author | Johannes Ranke <jranke@uni-bremen.de> | 2021-03-09 17:35:47 +0100 |
|---|---|---|
| committer | Johannes Ranke <jranke@uni-bremen.de> | 2021-03-09 17:35:47 +0100 |
| commit | c73b2f30ec836c949885784ab576e814eb8070a9 (patch) | |
| tree | 7cfff70c5dae646fb464f4071e4ec444bbf40de1 /docs/dev | |
| parent | 9a414d01985f9177745ce0ad234ef7fc1b9822bb (diff) | |
Some improvements for borderline cases
- fit_with_errors for saem()
- test_log_parms for mean_degparms() and saem()
Diffstat (limited to 'docs/dev')
32 files changed, 358 insertions, 357 deletions
diff --git a/docs/dev/404.html b/docs/dev/404.html index f9e51aa3..58591997 100644 --- a/docs/dev/404.html +++ b/docs/dev/404.html @@ -71,7 +71,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="https://pkgdown.jrwb.de/mkin/index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.4.9000</span> </span> </div> diff --git a/docs/dev/articles/index.html b/docs/dev/articles/index.html index 17ee4a69..3c00526e 100644 --- a/docs/dev/articles/index.html +++ b/docs/dev/articles/index.html @@ -71,7 +71,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.4.9000</span> </span> </div> diff --git a/docs/dev/authors.html b/docs/dev/authors.html index 63050c0d..45db18f2 100644 --- a/docs/dev/authors.html +++ b/docs/dev/authors.html @@ -71,7 +71,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.4.9000</span> </span> </div> diff --git a/docs/dev/index.html b/docs/dev/index.html index 57328658..d1fa1a52 100644 --- a/docs/dev/index.html +++ b/docs/dev/index.html @@ -38,7 +38,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.4.9000</span> </span> </div> @@ -192,11 +192,12 @@ <p>Many inspirations for improvements of mkin resulted from doing kinetic evaluations of degradation data for my clients while working at Harlan Laboratories and at Eurofins Regulatory AG, and now as an independent consultant.</p> <p>Funding was received from the Umweltbundesamt in the course of the projects</p> <ul> -<li>Grant Number 112407 (Testing and validation of modelling software as an alternative to ModelMaker 4.0, 2014-2015)</li> +<li>Project Number 27452 (Testing and validation of modelling software as an alternative to ModelMaker 4.0, 2014-2015)</li> <li>Project Number 56703 (Optimization of gmkin for routine use in the Umweltbundesamt, 2015)</li> +<li>Project Number 92570 (Update of Project Number 27452, 2017-2018)</li> <li>Project Number 112407 (Testing the feasibility of using an error model according to Rocke and Lorenzato for more realistic parameter estimates in the kinetic evaluation of degradation data, 2018-2019)</li> <li>Project Number 120667 (Development of objective criteria for the evaluation of the visual fit in the kinetic evaluation of degradation data, 2019-2020)</li> -<li>Project 146839 (Checking the feasibility of using mixed-effects models for the derivation of kinetic modelling parameters from degradation studies, 2020-2021)</li> +<li>Project Number 146839 (Checking the feasibility of using mixed-effects models for the derivation of kinetic modelling parameters from degradation studies, 2020-2021)</li> </ul> </div> <div id="references" class="section level2"> diff --git a/docs/dev/news/index.html b/docs/dev/news/index.html index 31c392f7..10585403 100644 --- a/docs/dev/news/index.html +++ b/docs/dev/news/index.html @@ -71,7 +71,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.4.9000</span> </span> </div> @@ -141,10 +141,9 @@ <small>Source: <a href='https://github.com/jranke/mkin/blob/master/NEWS.md'><code>NEWS.md</code></a></small> </div> - <div id="mkin-1039000" class="section level1"> -<h1 class="page-header" data-toc-text="1.0.3.9000"> -<a href="#mkin-1039000" class="anchor"></a>mkin 1.0.3.9000<small> Unreleased </small> -</h1> + <div id="mkin-1049000" class="section level1"> +<h1 class="page-header" data-toc-text="1.0.4.9000"> +<a href="#mkin-1049000" class="anchor"></a>mkin 1.0.4.9000</h1> <div id="general" class="section level2"> <h2 class="hasAnchor"> <a href="#general" class="anchor"></a>General</h2> @@ -159,29 +158,35 @@ <li><p>Reintroduce the interface to the current development version of saemix, in particular:</p></li> <li><p>‘saemix_model’ and ‘saemix_data’: Helper functions to set up nonlinear mixed-effects models for mmkin row objects</p></li> <li><p>‘saem’: generic function to fit saemix models using ‘saemix_model’ and ‘saemix_data’, with a generator ‘saem.mmkin’, summary and plot methods</p></li> +<li><p>‘mean_degparms’: New argument ‘test_log_parms’ that makes the function only consider log-transformed parameters where the untransformed parameters pass the t-test for a certain confidence level. This can be used to check more plausible parameters for ‘saem’</p></li> </ul> </div> </div> - <div id="mkin-103" class="section level1"> + <div id="mkin-104-unreleased" class="section level1"> +<h1 class="page-header" data-toc-text="1.0.4"> +<a href="#mkin-104-unreleased" class="anchor"></a>mkin 1.0.4 (Unreleased)</h1> +<ul> +<li><p>‘plot.mixed.mmkin’: Reset graphical parameters on exit</p></li> +<li><p>All plotting functions setting graphical parameters: Use on.exit() for resetting graphical parameters</p></li> +</ul> +</div> + <div id="mkin-103-2021-02-15" class="section level1"> <h1 class="page-header" data-toc-text="1.0.3"> -<a href="#mkin-103" class="anchor"></a>mkin 1.0.3<small> Unreleased </small> -</h1> +<a href="#mkin-103-2021-02-15" class="anchor"></a>mkin 1.0.3 (2021-02-15)</h1> <ul> <li>Review and update README, the ‘Introduction to mkin’ vignette and some of the help pages</li> </ul> </div> - <div id="mkin-102" class="section level1"> + <div id="mkin-102-unreleased" class="section level1"> <h1 class="page-header" data-toc-text="1.0.2"> -<a href="#mkin-102" class="anchor"></a>mkin 1.0.2<small> Unreleased </small> -</h1> +<a href="#mkin-102-unreleased" class="anchor"></a>mkin 1.0.2 (Unreleased)</h1> <ul> <li>‘mkinfit’: Keep model names stored in ‘mkinmod’ objects, avoiding their loss in ‘gmkin’</li> </ul> </div> - <div id="mkin-101" class="section level1"> + <div id="mkin-101-2021-02-10" class="section level1"> <h1 class="page-header" data-toc-text="1.0.1"> -<a href="#mkin-101" class="anchor"></a>mkin 1.0.1<small> 2021-02-10 </small> -</h1> +<a href="#mkin-101-2021-02-10" class="anchor"></a>mkin 1.0.1 (2021-02-10)</h1> <ul> <li><p>‘confint.mmkin’, ‘nlme.mmkin’, ‘transform_odeparms’: Fix example code in dontrun sections that failed with current defaults</p></li> <li><p>‘logLik.mkinfit’: Improve example code to avoid warnings and show convenient syntax</p></li> @@ -190,10 +195,9 @@ <li><p>Increase test tolerance for some parameter comparisons that also proved to be platform dependent</p></li> </ul> </div> - <div id="mkin-100" class="section level1"> + <div id="mkin-100-2021-02-03" class="section level1"> <h1 class="page-header" data-toc-text="1.0.0"> -<a href="#mkin-100" class="anchor"></a>mkin 1.0.0<small> 2021-02-03 </small> -</h1> +<a href="#mkin-100-2021-02-03" class="anchor"></a>mkin 1.0.0 (2021-02-03)</h1> <div id="general-1" class="section level2"> <h2 class="hasAnchor"> <a href="#general-1" class="anchor"></a>General</h2> @@ -221,8 +225,7 @@ </div> <div id="mkin-09503-2020-10-08" class="section level1"> <h1 class="page-header" data-toc-text="0.9.50.3"> -<a href="#mkin-09503-2020-10-08" class="anchor"></a>mkin 0.9.50.3 (2020-10-08)<small> 2020-10-08 </small> -</h1> +<a href="#mkin-09503-2020-10-08" class="anchor"></a>mkin 0.9.50.3 (2020-10-08)</h1> <ul> <li><p>‘parms’: Add a method for mmkin objects</p></li> <li><p>‘mmkin’ and ‘confint(method = ’profile’): Use all cores detected by parallel::detectCores() per default</p></li> @@ -237,8 +240,7 @@ </div> <div id="mkin-09502-2020-05-12" class="section level1"> <h1 class="page-header" data-toc-text="0.9.50.2"> -<a href="#mkin-09502-2020-05-12" class="anchor"></a>mkin 0.9.50.2 (2020-05-12)<small> 2020-05-12 </small> -</h1> +<a href="#mkin-09502-2020-05-12" class="anchor"></a>mkin 0.9.50.2 (2020-05-12)</h1> <ul> <li><p>Increase tolerance for a platform specific test results on the Solaris test machine on CRAN</p></li> <li><p>Updates and corrections (using the spelling package) to the documentation</p></li> @@ -246,8 +248,7 @@ </div> <div id="mkin-09501-2020-05-11" class="section level1"> <h1 class="page-header" data-toc-text="0.9.50.1"> -<a href="#mkin-09501-2020-05-11" class="anchor"></a>mkin 0.9.50.1 (2020-05-11)<small> 2020-05-11 </small> -</h1> +<a href="#mkin-09501-2020-05-11" class="anchor"></a>mkin 0.9.50.1 (2020-05-11)</h1> <ul> <li><p>Support SFORB with formation fractions</p></li> <li><p>‘mkinmod’: Make ‘use_of_ff’ = “max” the default</p></li> @@ -256,16 +257,14 @@ </div> <div id="mkin-094911-2020-04-20" class="section level1"> <h1 class="page-header" data-toc-text="0.9.49.11"> -<a href="#mkin-094911-2020-04-20" class="anchor"></a>mkin 0.9.49.11 (2020-04-20)<small> 2020-04-20 </small> -</h1> +<a href="#mkin-094911-2020-04-20" class="anchor"></a>mkin 0.9.49.11 (2020-04-20)</h1> <ul> <li>Increase a test tolerance to make it pass on all CRAN check machines</li> </ul> </div> <div id="mkin-094910-2020-04-18" class="section level1"> <h1 class="page-header" data-toc-text="0.9.49.10"> -<a href="#mkin-094910-2020-04-18" class="anchor"></a>mkin 0.9.49.10 (2020-04-18)<small> 2020-04-18 </small> -</h1> +<a href="#mkin-094910-2020-04-18" class="anchor"></a>mkin 0.9.49.10 (2020-04-18)</h1> <ul> <li><p>‘nlme.mmkin’: An nlme method for mmkin row objects and an associated S3 class with print, plot, anova and endpoint methods</p></li> <li><p>‘mean_degparms, nlme_data, nlme_function’: Three new functions to facilitate building nlme models from mmkin row objects</p></li> @@ -277,8 +276,7 @@ </div> <div id="mkin-09499-2020-03-31" class="section level1"> <h1 class="page-header" data-toc-text="0.9.49.9"> -<a href="#mkin-09499-2020-03-31" class="anchor"></a>mkin 0.9.49.9 (2020-03-31)<small> 2020-03-31 </small> -</h1> +<a href="#mkin-09499-2020-03-31" class="anchor"></a>mkin 0.9.49.9 (2020-03-31)</h1> <ul> <li><p>‘mkinmod’: Use pkgbuild::has_compiler instead of Sys.which(‘gcc’), as the latter will often fail even if Rtools are installed</p></li> <li><p>‘mkinds’: Use roxygen for documenting fields and methods of this R6 class</p></li> @@ -286,8 +284,7 @@ </div> <div id="mkin-09498-2020-01-09" class="section level1"> <h1 class="page-header" data-toc-text="0.9.49.8"> -<a href="#mkin-09498-2020-01-09" class="anchor"></a>mkin 0.9.49.8 (2020-01-09)<small> 2020-01-09 </small> -</h1> +<a href="#mkin-09498-2020-01-09" class="anchor"></a>mkin 0.9.49.8 (2020-01-09)</h1> <ul> <li><p>‘aw’: Generic function for calculating Akaike weights, methods for mkinfit objects and mmkin columns</p></li> <li><p>‘loftest’: Add a lack-of-fit test</p></li> @@ -298,8 +295,7 @@ </div> <div id="mkin-09497-2019-11-01" class="section level1"> <h1 class="page-header" data-toc-text="0.9.49.7"> -<a href="#mkin-09497-2019-11-01" class="anchor"></a>mkin 0.9.49.7 (2019-11-01)<small> 2019-11-02 </small> -</h1> +<a href="#mkin-09497-2019-11-01" class="anchor"></a>mkin 0.9.49.7 (2019-11-01)</h1> <ul> <li><p>Fix a bug introduced in 0.9.49.6 that occurred if the direct optimisation yielded a higher likelihood than the three-step optimisation in the d_3 algorithm, which caused the fitted parameters of the three-step optimisation to be returned instead of the parameters of the direct optimisation</p></li> <li><p>Add a ‘nobs’ method for mkinfit objects, enabling the default ‘BIC’ method from the stats package. Also, add a ‘BIC’ method for mmkin column objects.</p></li> @@ -307,8 +303,7 @@ </div> <div id="mkin-09496-2019-10-31" class="section level1"> <h1 class="page-header" data-toc-text="0.9.49.6"> -<a href="#mkin-09496-2019-10-31" class="anchor"></a>mkin 0.9.49.6 (2019-10-31)<small> 2019-10-31 </small> -</h1> +<a href="#mkin-09496-2019-10-31" class="anchor"></a>mkin 0.9.49.6 (2019-10-31)</h1> <ul> <li><p>Implement a likelihood ratio test as a method for ‘lrtest’ from the lmtest package</p></li> <li><p>Add an ‘update’ method for mkinfit objects which remembers fitted parameters if appropriate</p></li> @@ -327,8 +322,7 @@ </div> <div id="mkin-09495-2019-07-04" class="section level1"> <h1 class="page-header" data-toc-text="0.9.49.5"> -<a href="#mkin-09495-2019-07-04" class="anchor"></a>mkin 0.9.49.5 (2019-07-04)<small> 2019-07-04 </small> -</h1> +<a href="#mkin-09495-2019-07-04" class="anchor"></a>mkin 0.9.49.5 (2019-07-04)</h1> <ul> <li><p>Several algorithms for minimization of the negative log-likelihood for non-constant error models (two-component and variance by variable). In the case the error model is constant variance, least squares is used as this is more stable. The default algorithm ‘d_3’ tries direct minimization and a three-step procedure, and returns the model with the highest likelihood.</p></li> <li><p>The argument ‘reweight.method’ to mkinfit and mmkin is now obsolete, use ‘error_model’ and ‘error_model_algorithm’ instead</p></li> @@ -346,8 +340,7 @@ </div> <div id="mkin-09481-2019-03-04" class="section level1"> <h1 class="page-header" data-toc-text="0.9.48.1"> -<a href="#mkin-09481-2019-03-04" class="anchor"></a>mkin 0.9.48.1 (2019-03-04)<small> 2019-03-04 </small> -</h1> +<a href="#mkin-09481-2019-03-04" class="anchor"></a>mkin 0.9.48.1 (2019-03-04)</h1> <ul> <li><p>Add the function ‘logLik.mkinfit’ which makes it possible to calculate an AIC for mkinfit objects</p></li> <li><p>Add the function ‘AIC.mmkin’ to make it easy to compare columns of mmkin objects</p></li> @@ -363,8 +356,7 @@ </div> <div id="mkin-09475-2018-09-14" class="section level1"> <h1 class="page-header" data-toc-text="0.9.47.5"> -<a href="#mkin-09475-2018-09-14" class="anchor"></a>mkin 0.9.47.5 (2018-09-14)<small> 2018-09-14 </small> -</h1> +<a href="#mkin-09475-2018-09-14" class="anchor"></a>mkin 0.9.47.5 (2018-09-14)</h1> <ul> <li><p>Make the two-component error model stop in cases where it is inadequate to avoid nls crashes on windows</p></li> <li><p>Move two vignettes to a location where they will not be built on CRAN (to avoid more NOTES from long execution times)</p></li> @@ -373,8 +365,7 @@ </div> <div id="mkin-09473" class="section level1"> <h1 class="page-header" data-toc-text="0.9.47.3"> -<a href="#mkin-09473" class="anchor"></a>mkin 0.9.47.3<small> Unreleased </small> -</h1> +<a href="#mkin-09473" class="anchor"></a>mkin 0.9.47.3</h1> <ul> <li><p>‘mkinfit’: Improve fitting the error model for reweight.method = ‘tc’. Add ‘manual’ to possible arguments for ‘weight’</p></li> <li><p>Test that FOCUS_2006_C can be evaluated with DFOP and reweight.method = ‘tc’</p></li> @@ -382,8 +373,7 @@ </div> <div id="mkin-09472-2018-07-19" class="section level1"> <h1 class="page-header" data-toc-text="0.9.47.2"> -<a href="#mkin-09472-2018-07-19" class="anchor"></a>mkin 0.9.47.2 (2018-07-19)<small> 2018-07-19 </small> -</h1> +<a href="#mkin-09472-2018-07-19" class="anchor"></a>mkin 0.9.47.2 (2018-07-19)</h1> <ul> <li><p>‘sigma_twocomp’: Rename ‘sigma_rl’ to ‘sigma_twocomp’ as the Rocke and Lorenzato model assumes lognormal distribution for large y. Correct references to the Rocke and Lorenzato model accordingly.</p></li> <li><p>‘mkinfit’: Use 1.1 as starting value for N parameter of IORE models to obtain convergence in more difficult cases. Show parameter names when ‘trace_parms’ is ‘TRUE’.</p></li> @@ -391,8 +381,7 @@ </div> <div id="mkin-09471-2018-02-06" class="section level1"> <h1 class="page-header" data-toc-text="0.9.47.1"> -<a href="#mkin-09471-2018-02-06" class="anchor"></a>mkin 0.9.47.1 (2018-02-06)<small> 2018-02-06 </small> -</h1> +<a href="#mkin-09471-2018-02-06" class="anchor"></a>mkin 0.9.47.1 (2018-02-06)</h1> <ul> <li><p>Skip some tests on CRAN and winbuilder to avoid timeouts</p></li> <li><p>‘test_data_from_UBA_2014’: Added this list of datasets containing experimental data used in the expertise from 2014</p></li> @@ -404,8 +393,7 @@ </div> <div id="mkin-09463-2017-11-16" class="section level1"> <h1 class="page-header" data-toc-text="0.9.46.3"> -<a href="#mkin-09463-2017-11-16" class="anchor"></a>mkin 0.9.46.3 (2017-11-16)<small> 2017-11-16 </small> -</h1> +<a href="#mkin-09463-2017-11-16" class="anchor"></a>mkin 0.9.46.3 (2017-11-16)</h1> <ul> <li><p><code>README.md</code>, <code>vignettes/mkin.Rmd</code>: URLs were updated</p></li> <li><p><code>synthetic_data_for_UBA</code>: Add the code used to generate the data in the interest of reproducibility</p></li> @@ -413,8 +401,7 @@ </div> <div id="mkin-09462-2017-10-10" class="section level1"> <h1 class="page-header" data-toc-text="0.9.46.2"> -<a href="#mkin-09462-2017-10-10" class="anchor"></a>mkin 0.9.46.2 (2017-10-10)<small> 2017-10-10 </small> -</h1> +<a href="#mkin-09462-2017-10-10" class="anchor"></a>mkin 0.9.46.2 (2017-10-10)</h1> <ul> <li><p>Converted the vignette FOCUS_Z from tex/pdf to markdown/html</p></li> <li><p><code>DESCRIPTION</code>: Add ORCID</p></li> @@ -422,8 +409,7 @@ </div> <div id="mkin-09461-2017-09-14" class="section level1"> <h1 class="page-header" data-toc-text="0.9.46.1"> -<a href="#mkin-09461-2017-09-14" class="anchor"></a>mkin 0.9.46.1 (2017-09-14)<small> 2017-09-14 </small> -</h1> +<a href="#mkin-09461-2017-09-14" class="anchor"></a>mkin 0.9.46.1 (2017-09-14)</h1> <ul> <li><p><code>plot.mkinfit</code>: Fix scaling of residual plots for the case of separate plots for each observed variable</p></li> <li><p><code>plot.mkinfit</code>: Use all data points of the fitted curve for y axis scaling for the case of separate plots for each observed variable</p></li> @@ -432,16 +418,14 @@ </div> <div id="mkin-0946-2017-07-24" class="section level1"> <h1 class="page-header" data-toc-text="0.9.46"> -<a href="#mkin-0946-2017-07-24" class="anchor"></a>mkin 0.9.46 (2017-07-24)<small> 2017-07-29 </small> -</h1> +<a href="#mkin-0946-2017-07-24" class="anchor"></a>mkin 0.9.46 (2017-07-24)</h1> <ul> <li>Remove <code>test_FOMC_ill-defined.R</code> as it is too platform dependent</li> </ul> </div> <div id="mkin-09452-2017-07-24" class="section level1"> <h1 class="page-header" data-toc-text="0.9.45.2"> -<a href="#mkin-09452-2017-07-24" class="anchor"></a>mkin 0.9.45.2 (2017-07-24)<small> 2017-07-22 </small> -</h1> +<a href="#mkin-09452-2017-07-24" class="anchor"></a>mkin 0.9.45.2 (2017-07-24)</h1> <ul> <li><p>Rename <code>twa</code> to <code>max_twa_parent</code> to avoid conflict with <code>twa</code> from my <code>pfm</code> package</p></li> <li><p>Update URLs in documentation</p></li> @@ -451,8 +435,7 @@ </div> <div id="mkin-09451-2016-12-20" class="section level1"> <h1 class="page-header" data-toc-text="0.9.45.1"> -<a href="#mkin-09451-2016-12-20" class="anchor"></a>mkin 0.9.45.1 (2016-12-20)<small> Unreleased </small> -</h1> +<a href="#mkin-09451-2016-12-20" class="anchor"></a>mkin 0.9.45.1 (2016-12-20)</h1> <div id="new-features" class="section level2"> <h2 class="hasAnchor"> <a href="#new-features" class="anchor"></a>New features</h2> @@ -463,8 +446,7 @@ </div> <div id="mkin-0945-2016-12-08" class="section level1"> <h1 class="page-header" data-toc-text="0.9.45"> -<a href="#mkin-0945-2016-12-08" class="anchor"></a>mkin 0.9.45 (2016-12-08)<small> 2016-12-08 </small> -</h1> +<a href="#mkin-0945-2016-12-08" class="anchor"></a>mkin 0.9.45 (2016-12-08)</h1> <div id="minor-changes" class="section level2"> <h2 class="hasAnchor"> <a href="#minor-changes" class="anchor"></a>Minor changes</h2> @@ -477,8 +459,7 @@ </div> <div id="mkin-0944-2016-06-29" class="section level1"> <h1 class="page-header" data-toc-text="0.9.44"> -<a href="#mkin-0944-2016-06-29" class="anchor"></a>mkin 0.9.44 (2016-06-29)<small> 2016-06-29 </small> -</h1> +<a href="#mkin-0944-2016-06-29" class="anchor"></a>mkin 0.9.44 (2016-06-29)</h1> <div id="bug-fixes" class="section level2"> <h2 class="hasAnchor"> <a href="#bug-fixes" class="anchor"></a>Bug fixes</h2> @@ -489,8 +470,7 @@ </div> <div id="mkin-0943-2016-06-28" class="section level1"> <h1 class="page-header" data-toc-text="0.9.43"> -<a href="#mkin-0943-2016-06-28" class="anchor"></a>mkin 0.9.43 (2016-06-28)<small> 2016-06-28 </small> -</h1> +<a href="#mkin-0943-2016-06-28" class="anchor"></a>mkin 0.9.43 (2016-06-28)</h1> <div id="major-changes" class="section level2"> <h2 class="hasAnchor"> <a href="#major-changes" class="anchor"></a>Major changes</h2> @@ -528,8 +508,7 @@ </div> <div id="mkin-0942-2016-03-25" class="section level1"> <h1 class="page-header" data-toc-text="0.9.42"> -<a href="#mkin-0942-2016-03-25" class="anchor"></a>mkin 0.9.42 (2016-03-25)<small> 2016-03-25 </small> -</h1> +<a href="#mkin-0942-2016-03-25" class="anchor"></a>mkin 0.9.42 (2016-03-25)</h1> <div id="major-changes-1" class="section level2"> <h2 class="hasAnchor"> <a href="#major-changes-1" class="anchor"></a>Major changes</h2> @@ -549,8 +528,7 @@ </div> <div id="mkin-09-41-2015-11-09" class="section level1"> <h1 class="page-header" data-toc-text="0.9-41"> -<a href="#mkin-09-41-2015-11-09" class="anchor"></a>mkin 0.9-41 (2015-11-09)<small> 2015-11-09 </small> -</h1> +<a href="#mkin-09-41-2015-11-09" class="anchor"></a>mkin 0.9-41 (2015-11-09)</h1> <div id="minor-changes-3" class="section level2"> <h2 class="hasAnchor"> <a href="#minor-changes-3" class="anchor"></a>Minor changes</h2> @@ -572,8 +550,7 @@ </div> <div id="mkin-09-40-2015-07-21" class="section level1"> <h1 class="page-header" data-toc-text="0.9-40"> -<a href="#mkin-09-40-2015-07-21" class="anchor"></a>mkin 0.9-40 (2015-07-21)<small> 2015-07-21 </small> -</h1> +<a href="#mkin-09-40-2015-07-21" class="anchor"></a>mkin 0.9-40 (2015-07-21)</h1> <div id="bug-fixes-3" class="section level2"> <h2 class="hasAnchor"> <a href="#bug-fixes-3" class="anchor"></a>Bug fixes</h2> @@ -593,8 +570,7 @@ </div> <div id="mkin-09-39-2015-06-26" class="section level1"> <h1 class="page-header" data-toc-text="0.9-39"> -<a href="#mkin-09-39-2015-06-26" class="anchor"></a>mkin 0.9-39 (2015-06-26)<small> 2015-06-26 </small> -</h1> +<a href="#mkin-09-39-2015-06-26" class="anchor"></a>mkin 0.9-39 (2015-06-26)</h1> <div id="major-changes-2" class="section level2"> <h2 class="hasAnchor"> <a href="#major-changes-2" class="anchor"></a>Major changes</h2> @@ -614,8 +590,7 @@ </div> <div id="mkin-09-38-2015-06-24" class="section level1"> <h1 class="page-header" data-toc-text="0.9-38"> -<a href="#mkin-09-38-2015-06-24" class="anchor"></a>mkin 0.9-38 (2015-06-24)<small> 2015-06-23 </small> -</h1> +<a href="#mkin-09-38-2015-06-24" class="anchor"></a>mkin 0.9-38 (2015-06-24)</h1> <div id="minor-changes-4" class="section level2"> <h2 class="hasAnchor"> <a href="#minor-changes-4" class="anchor"></a>Minor changes</h2> @@ -635,8 +610,7 @@ </div> <div id="mkin-09-36-2015-06-21" class="section level1"> <h1 class="page-header" data-toc-text="0.9-36"> -<a href="#mkin-09-36-2015-06-21" class="anchor"></a>mkin 0.9-36 (2015-06-21)<small> 2015-06-21 </small> -</h1> +<a href="#mkin-09-36-2015-06-21" class="anchor"></a>mkin 0.9-36 (2015-06-21)</h1> <div id="major-changes-3" class="section level2"> <h2 class="hasAnchor"> <a href="#major-changes-3" class="anchor"></a>Major changes</h2> @@ -657,8 +631,7 @@ </div> <div id="mkin-09-35-2015-05-15" class="section level1"> <h1 class="page-header" data-toc-text="0.9-35"> -<a href="#mkin-09-35-2015-05-15" class="anchor"></a>mkin 0.9-35 (2015-05-15)<small> 2015-05-15 </small> -</h1> +<a href="#mkin-09-35-2015-05-15" class="anchor"></a>mkin 0.9-35 (2015-05-15)</h1> <div id="major-changes-4" class="section level2"> <h2 class="hasAnchor"> <a href="#major-changes-4" class="anchor"></a>Major changes</h2> @@ -689,8 +662,7 @@ </div> <div id="mkin-09-34-2014-11-22" class="section level1"> <h1 class="page-header" data-toc-text="0.9-34"> -<a href="#mkin-09-34-2014-11-22" class="anchor"></a>mkin 0.9-34 (2014-11-22)<small> 2014-11-22 </small> -</h1> +<a href="#mkin-09-34-2014-11-22" class="anchor"></a>mkin 0.9-34 (2014-11-22)</h1> <div id="new-features-2" class="section level2"> <h2 class="hasAnchor"> <a href="#new-features-2" class="anchor"></a>New features</h2> @@ -711,8 +683,7 @@ </div> <div id="mkin-09-33-2014-10-22" class="section level1"> <h1 class="page-header" data-toc-text="0.9-33"> -<a href="#mkin-09-33-2014-10-22" class="anchor"></a>mkin 0.9-33 (2014-10-22)<small> 2014-10-12 </small> -</h1> +<a href="#mkin-09-33-2014-10-22" class="anchor"></a>mkin 0.9-33 (2014-10-22)</h1> <div id="new-features-3" class="section level2"> <h2 class="hasAnchor"> <a href="#new-features-3" class="anchor"></a>New features</h2> @@ -744,8 +715,7 @@ </div> <div id="mkin-09-32-2014-07-24" class="section level1"> <h1 class="page-header" data-toc-text="0.9-32"> -<a href="#mkin-09-32-2014-07-24" class="anchor"></a>mkin 0.9-32 (2014-07-24)<small> 2014-07-24 </small> -</h1> +<a href="#mkin-09-32-2014-07-24" class="anchor"></a>mkin 0.9-32 (2014-07-24)</h1> <div id="new-features-4" class="section level2"> <h2 class="hasAnchor"> <a href="#new-features-4" class="anchor"></a>New features</h2> @@ -781,8 +751,7 @@ </div> <div id="mkin-09-31-2014-07-14" class="section level1"> <h1 class="page-header" data-toc-text="0.9-31"> -<a href="#mkin-09-31-2014-07-14" class="anchor"></a>mkin 0.9-31 (2014-07-14)<small> 2014-07-14 </small> -</h1> +<a href="#mkin-09-31-2014-07-14" class="anchor"></a>mkin 0.9-31 (2014-07-14)</h1> <div id="bug-fixes-9" class="section level2"> <h2 class="hasAnchor"> <a href="#bug-fixes-9" class="anchor"></a>Bug fixes</h2> @@ -793,8 +762,7 @@ </div> <div id="mkin-09-30-2014-07-11" class="section level1"> <h1 class="page-header" data-toc-text="0.9-30"> -<a href="#mkin-09-30-2014-07-11" class="anchor"></a>mkin 0.9-30 (2014-07-11)<small> 2014-07-11 </small> -</h1> +<a href="#mkin-09-30-2014-07-11" class="anchor"></a>mkin 0.9-30 (2014-07-11)</h1> <div id="new-features-5" class="section level2"> <h2 class="hasAnchor"> <a href="#new-features-5" class="anchor"></a>New features</h2> @@ -825,8 +793,7 @@ </div> <div id="mkin-09-29-2014-06-27" class="section level1"> <h1 class="page-header" data-toc-text="0.9-29"> -<a href="#mkin-09-29-2014-06-27" class="anchor"></a>mkin 0.9-29 (2014-06-27)<small> 2014-06-27 </small> -</h1> +<a href="#mkin-09-29-2014-06-27" class="anchor"></a>mkin 0.9-29 (2014-06-27)</h1> <ul> <li><p>R/mkinresplot.R: Make it possible to specify <code>xlim</code></p></li> <li><p>R/geometric_mean.R, man/geometric_mean.Rd: Add geometric mean function</p></li> @@ -835,8 +802,7 @@ </div> <div id="mkin-09-28-2014-05-20" class="section level1"> <h1 class="page-header" data-toc-text="0.9-28"> -<a href="#mkin-09-28-2014-05-20" class="anchor"></a>mkin 0.9-28 (2014-05-20)<small> 2014-05-20 </small> -</h1> +<a href="#mkin-09-28-2014-05-20" class="anchor"></a>mkin 0.9-28 (2014-05-20)</h1> <ul> <li><p>Do not backtransform confidence intervals for formation fractions if more than one compound is formed, as such parameters only define the pathways as a set</p></li> <li><p>Add historical remarks and some background to the main package vignette</p></li> @@ -845,8 +811,7 @@ </div> <div id="mkin-09-27-2014-05-10" class="section level1"> <h1 class="page-header" data-toc-text="0.9-27"> -<a href="#mkin-09-27-2014-05-10" class="anchor"></a>mkin 0.9-27 (2014-05-10)<small> 2014-05-10 </small> -</h1> +<a href="#mkin-09-27-2014-05-10" class="anchor"></a>mkin 0.9-27 (2014-05-10)</h1> <ul> <li><p>Fork the GUI into a separate package <a href="https://github.com/jranke/gmkin">gmkin</a></p></li> <li><p>DESCRIPTION, NAMESPACE, TODO: Adapt and add copyright information</p></li> @@ -869,8 +834,7 @@ </div> <div id="mkin-09-24-2013-11-06" class="section level1"> <h1 class="page-header" data-toc-text="0.9-24"> -<a href="#mkin-09-24-2013-11-06" class="anchor"></a>mkin 0.9-24 (2013-11-06)<small> 2013-11-06 </small> -</h1> +<a href="#mkin-09-24-2013-11-06" class="anchor"></a>mkin 0.9-24 (2013-11-06)</h1> <ul> <li><p>Bugfix re-enabling the fixing of any combination of initial values for state variables</p></li> <li><p>Default values for kinetic rate constants are not all 0.1 any more but are “salted” with a small increment to avoid numeric artefacts with the eigenvalue based solutions</p></li> @@ -879,8 +843,7 @@ </div> <div id="mkin-09-22-2013-10-26" class="section level1"> <h1 class="page-header" data-toc-text="0.9-22"> -<a href="#mkin-09-22-2013-10-26" class="anchor"></a>mkin 0.9-22 (2013-10-26)<small> 2013-10-26 </small> -</h1> +<a href="#mkin-09-22-2013-10-26" class="anchor"></a>mkin 0.9-22 (2013-10-26)</h1> <ul> <li><p>Get rid of the optimisation step in <code>mkinerrmin</code> - this was unnecessary. Thanks to KinGUII for the inspiration - actually this is equation 6-2 in FOCUS kinetics p. 91 that I had overlooked originally</p></li> <li><p>Fix <code>plot.mkinfit</code> as it passed graphical arguments like main to the solver</p></li> diff --git a/docs/dev/pkgdown.yml b/docs/dev/pkgdown.yml index 4df60994..dbacd0ab 100644 --- a/docs/dev/pkgdown.yml +++ b/docs/dev/pkgdown.yml @@ -10,7 +10,7 @@ articles: web_only/NAFTA_examples: NAFTA_examples.html web_only/benchmarks: benchmarks.html web_only/compiled_models: compiled_models.html -last_built: 2021-02-15T16:08Z +last_built: 2021-03-09T16:32Z urls: reference: https://pkgdown.jrwb.de/mkin/reference article: https://pkgdown.jrwb.de/mkin/articles diff --git a/docs/dev/reference/Rplot001.png b/docs/dev/reference/Rplot001.png Binary files differindex 7f498242..17a35806 100644 --- a/docs/dev/reference/Rplot001.png +++ b/docs/dev/reference/Rplot001.png diff --git a/docs/dev/reference/Rplot002.png b/docs/dev/reference/Rplot002.png Binary files differindex 54c31a3f..a9a972e5 100644 --- a/docs/dev/reference/Rplot002.png +++ b/docs/dev/reference/Rplot002.png diff --git a/docs/dev/reference/Rplot003.png b/docs/dev/reference/Rplot003.png Binary files differindex 2b011ec1..d077f01c 100644 --- a/docs/dev/reference/Rplot003.png +++ b/docs/dev/reference/Rplot003.png diff --git a/docs/dev/reference/Rplot004.png b/docs/dev/reference/Rplot004.png Binary files differindex 98dd019e..ffcd2d96 100644 --- a/docs/dev/reference/Rplot004.png +++ b/docs/dev/reference/Rplot004.png diff --git a/docs/dev/reference/Rplot005.png b/docs/dev/reference/Rplot005.png Binary files differindex 8c91d61e..dfb5965b 100644 --- a/docs/dev/reference/Rplot005.png +++ b/docs/dev/reference/Rplot005.png diff --git a/docs/dev/reference/endpoints.html b/docs/dev/reference/endpoints.html index c9912f9c..63bec6a8 100644 --- a/docs/dev/reference/endpoints.html +++ b/docs/dev/reference/endpoints.html @@ -78,7 +78,7 @@ advantage that the SFORB model can also be used for metabolites." /> </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.4.9000</span> </span> </div> diff --git a/docs/dev/reference/index.html b/docs/dev/reference/index.html index 03a21517..5533a01f 100644 --- a/docs/dev/reference/index.html +++ b/docs/dev/reference/index.html @@ -71,7 +71,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.4.9000</span> </span> </div> diff --git a/docs/dev/reference/nlme-1.png b/docs/dev/reference/nlme-1.png Binary files differindex 728cc557..fd68ae43 100644 --- a/docs/dev/reference/nlme-1.png +++ b/docs/dev/reference/nlme-1.png diff --git a/docs/dev/reference/nlme-2.png b/docs/dev/reference/nlme-2.png Binary files differindex e8167455..853cae40 100644 --- a/docs/dev/reference/nlme-2.png +++ b/docs/dev/reference/nlme-2.png diff --git a/docs/dev/reference/nlme.html b/docs/dev/reference/nlme.html index b850eb3d..78d132e9 100644 --- a/docs/dev/reference/nlme.html +++ b/docs/dev/reference/nlme.html @@ -75,7 +75,7 @@ datasets. They are used internally by the nlme.mmkin() method." /> </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.4.9000</span> </span> </div> @@ -155,7 +155,7 @@ datasets. They are used internally by the <code><a href='nlme.mmkin.html'>nlme.m <pre class="usage"><span class='fu'>nlme_function</span><span class='op'>(</span><span class='va'>object</span><span class='op'>)</span> -<span class='fu'>mean_degparms</span><span class='op'>(</span><span class='va'>object</span>, random <span class='op'>=</span> <span class='cn'>FALSE</span><span class='op'>)</span> +<span class='fu'>mean_degparms</span><span class='op'>(</span><span class='va'>object</span>, random <span class='op'>=</span> <span class='cn'>FALSE</span>, test_log_parms <span class='op'>=</span> <span class='cn'>FALSE</span>, conf.level <span class='op'>=</span> <span class='fl'>0.6</span><span class='op'>)</span> <span class='fu'>nlme_data</span><span class='op'>(</span><span class='va'>object</span><span class='op'>)</span></pre> @@ -170,6 +170,17 @@ datasets. They are used internally by the <code><a href='nlme.mmkin.html'>nlme.m <th>random</th> <td><p>Should a list with fixed and random effects be returned?</p></td> </tr> + <tr> + <th>test_log_parms</th> + <td><p>If TRUE, log parameters are only considered in +the mean calculations if their untransformed counterparts (most likely +rate constants) pass the t-test for significant difference from zero.</p></td> + </tr> + <tr> + <th>conf.level</th> + <td><p>Possibility to adjust the required confidence level +for parameter that are tested if requested by 'test_log_parms'.</p></td> + </tr> </table> <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2> @@ -211,7 +222,7 @@ nlme for the case of a single grouping variable ds.</p> <span class='va'>nlme_f</span> <span class='op'><-</span> <span class='fu'>nlme_function</span><span class='op'>(</span><span class='va'>f</span><span class='op'>)</span> <span class='co'># These assignments are necessary for these objects to be</span> <span class='co'># visible to nlme and augPred when evaluation is done by</span> -<span class='co'># pkgdown to generated the html docs.</span> +<span class='co'># pkgdown to generate the html docs.</span> <span class='fu'><a href='https://rdrr.io/r/base/assign.html'>assign</a></span><span class='op'>(</span><span class='st'>"nlme_f"</span>, <span class='va'>nlme_f</span>, <span class='fu'><a href='https://rdrr.io/r/base/environment.html'>globalenv</a></span><span class='op'>(</span><span class='op'>)</span><span class='op'>)</span> <span class='fu'><a href='https://rdrr.io/r/base/assign.html'>assign</a></span><span class='op'>(</span><span class='st'>"grouped_data"</span>, <span class='va'>grouped_data</span>, <span class='fu'><a href='https://rdrr.io/r/base/environment.html'>globalenv</a></span><span class='op'>(</span><span class='op'>)</span><span class='op'>)</span> @@ -226,28 +237,28 @@ nlme for the case of a single grouping variable ds.</p> #> Model: value ~ nlme_f(name, time, parent_0, log_k_parent_sink) #> Data: grouped_data #> AIC BIC logLik -#> 300.6824 310.2426 -145.3412 +#> 298.2781 307.7372 -144.1391 #> #> Random effects: #> Formula: list(parent_0 ~ 1, log_k_parent_sink ~ 1) #> Level: ds #> Structure: Diagonal #> parent_0 log_k_parent_sink Residual -#> StdDev: 1.697361 0.6801209 3.666073 +#> StdDev: 0.937473 0.7098105 3.83543 #> #> Fixed effects: parent_0 + log_k_parent_sink ~ 1 #> Value Std.Error DF t-value p-value -#> parent_0 100.99378 1.3890416 46 72.70753 0 -#> log_k_parent_sink -3.07521 0.4018589 46 -7.65246 0 +#> parent_0 101.76838 1.1445443 45 88.91607 0 +#> log_k_parent_sink -3.05444 0.4195622 45 -7.28008 0 #> Correlation: #> prnt_0 -#> log_k_parent_sink 0.027 +#> log_k_parent_sink 0.034 #> #> Standardized Within-Group Residuals: -#> Min Q1 Med Q3 Max -#> -1.9942823 -0.5622565 0.1791579 0.7165038 2.0704781 +#> Min Q1 Med Q3 Max +#> -2.61693595 -0.21853231 0.05740682 0.57209372 3.04598764 #> -#> Number of Observations: 50 +#> Number of Observations: 49 #> Number of Groups: 3 </div><div class='input'><span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/pkg/nlme/man/augPred.html'>augPred</a></span><span class='op'>(</span><span class='va'>m_nlme</span>, level <span class='op'>=</span> <span class='fl'>0</span><span class='op'>:</span><span class='fl'>1</span><span class='op'>)</span>, layout <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='fl'>3</span>, <span class='fl'>1</span><span class='op'>)</span><span class='op'>)</span> </div><div class='img'><img src='nlme-1.png' alt='' width='700' height='433' /></div><div class='input'><span class='co'># augPred does not work on fits with more than one state</span> <span class='co'># variable</span> diff --git a/docs/dev/reference/nlme.mmkin-1.png b/docs/dev/reference/nlme.mmkin-1.png Binary files differindex 9186c135..90ede880 100644 --- a/docs/dev/reference/nlme.mmkin-1.png +++ b/docs/dev/reference/nlme.mmkin-1.png diff --git a/docs/dev/reference/nlme.mmkin-2.png b/docs/dev/reference/nlme.mmkin-2.png Binary files differindex d395fe02..0d140fd1 100644 --- a/docs/dev/reference/nlme.mmkin-2.png +++ b/docs/dev/reference/nlme.mmkin-2.png diff --git a/docs/dev/reference/nlme.mmkin-3.png b/docs/dev/reference/nlme.mmkin-3.png Binary files differindex 40518a59..8a60b52b 100644 --- a/docs/dev/reference/nlme.mmkin-3.png +++ b/docs/dev/reference/nlme.mmkin-3.png diff --git a/docs/dev/reference/nlme.mmkin.html b/docs/dev/reference/nlme.mmkin.html index 925cf7cf..f308d8b7 100644 --- a/docs/dev/reference/nlme.mmkin.html +++ b/docs/dev/reference/nlme.mmkin.html @@ -74,7 +74,7 @@ have been obtained by fitting the same model to a list of datasets." /> </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.4.9000</span> </span> </div> diff --git a/docs/dev/reference/plot.mixed.mmkin-1.png b/docs/dev/reference/plot.mixed.mmkin-1.png Binary files differindex 9c9a2211..2224d96e 100644 --- a/docs/dev/reference/plot.mixed.mmkin-1.png +++ b/docs/dev/reference/plot.mixed.mmkin-1.png diff --git a/docs/dev/reference/plot.mixed.mmkin-2.png b/docs/dev/reference/plot.mixed.mmkin-2.png Binary files differindex 0f66ff0f..28168495 100644 --- a/docs/dev/reference/plot.mixed.mmkin-2.png +++ b/docs/dev/reference/plot.mixed.mmkin-2.png diff --git a/docs/dev/reference/plot.mixed.mmkin-3.png b/docs/dev/reference/plot.mixed.mmkin-3.png Binary files differindex 34212f1c..d18275dd 100644 --- a/docs/dev/reference/plot.mixed.mmkin-3.png +++ b/docs/dev/reference/plot.mixed.mmkin-3.png diff --git a/docs/dev/reference/plot.mixed.mmkin-4.png b/docs/dev/reference/plot.mixed.mmkin-4.png Binary files differindex c1450d24..2fd52425 100644 --- a/docs/dev/reference/plot.mixed.mmkin-4.png +++ b/docs/dev/reference/plot.mixed.mmkin-4.png diff --git a/docs/dev/reference/plot.mixed.mmkin.html b/docs/dev/reference/plot.mixed.mmkin.html index 630e95a3..36796580 100644 --- a/docs/dev/reference/plot.mixed.mmkin.html +++ b/docs/dev/reference/plot.mixed.mmkin.html @@ -72,7 +72,7 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.4.9000</span> </span> </div> @@ -283,10 +283,10 @@ corresponding model prediction lines for the different datasets.</p></td> </div><div class='img'><img src='plot.mixed.mmkin-2.png' alt='' width='700' height='433' /></div><div class='input'> <span class='va'>f_saem</span> <span class='op'><-</span> <span class='fu'><a href='saem.html'>saem</a></span><span class='op'>(</span><span class='va'>f</span>, transformations <span class='op'>=</span> <span class='st'>"saemix"</span><span class='op'>)</span> </div><div class='output co'>#> Running main SAEM algorithm -#> [1] "Mon Feb 15 17:12:17 2021" +#> [1] "Tue Mar 9 17:34:35 2021" #> .... #> Minimisation finished -#> [1] "Mon Feb 15 17:12:24 2021"</div><div class='input'><span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='va'>f_saem</span><span class='op'>)</span> +#> [1] "Tue Mar 9 17:34:42 2021"</div><div class='input'><span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='va'>f_saem</span><span class='op'>)</span> </div><div class='img'><img src='plot.mixed.mmkin-3.png' alt='' width='700' height='433' /></div><div class='input'> <span class='co'># We can overlay the two variants if we generate predictions</span> <span class='va'>pred_nlme</span> <span class='op'><-</span> <span class='fu'><a href='mkinpredict.html'>mkinpredict</a></span><span class='op'>(</span><span class='va'>dfop_sfo</span>, diff --git a/docs/dev/reference/saem-1.png b/docs/dev/reference/saem-1.png Binary files differindex 2df248bb..0da31388 100644 --- a/docs/dev/reference/saem-1.png +++ b/docs/dev/reference/saem-1.png diff --git a/docs/dev/reference/saem-2.png b/docs/dev/reference/saem-2.png Binary files differindex d4a2c1be..010950ba 100644 --- a/docs/dev/reference/saem-2.png +++ b/docs/dev/reference/saem-2.png diff --git a/docs/dev/reference/saem-3.png b/docs/dev/reference/saem-3.png Binary files differindex 4474b1f1..829f22bf 100644 --- a/docs/dev/reference/saem-3.png +++ b/docs/dev/reference/saem-3.png diff --git a/docs/dev/reference/saem-4.png b/docs/dev/reference/saem-4.png Binary files differindex bf24d6b0..4e976fa2 100644 --- a/docs/dev/reference/saem-4.png +++ b/docs/dev/reference/saem-4.png diff --git a/docs/dev/reference/saem-5.png b/docs/dev/reference/saem-5.png Binary files differindex 27ed3f8f..f50969b4 100644 --- a/docs/dev/reference/saem-5.png +++ b/docs/dev/reference/saem-5.png diff --git a/docs/dev/reference/saem.html b/docs/dev/reference/saem.html index bdb1226e..23102df3 100644 --- a/docs/dev/reference/saem.html +++ b/docs/dev/reference/saem.html @@ -74,7 +74,7 @@ Expectation Maximisation algorithm (SAEM)." /> </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.4.9000</span> </span> </div> @@ -158,9 +158,12 @@ Expectation Maximisation algorithm (SAEM).</p> <span class='va'>object</span>, transformations <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='st'>"mkin"</span>, <span class='st'>"saemix"</span><span class='op'>)</span>, degparms_start <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/numeric.html'>numeric</a></span><span class='op'>(</span><span class='op'>)</span>, + test_log_parms <span class='op'>=</span> <span class='cn'>FALSE</span>, + conf.level <span class='op'>=</span> <span class='fl'>0.6</span>, solution_type <span class='op'>=</span> <span class='st'>"auto"</span>, control <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span>displayProgress <span class='op'>=</span> <span class='cn'>FALSE</span>, print <span class='op'>=</span> <span class='cn'>FALSE</span>, save <span class='op'>=</span> <span class='cn'>FALSE</span>, save.graphs <span class='op'>=</span> <span class='cn'>FALSE</span><span class='op'>)</span>, + fail_with_errors <span class='op'>=</span> <span class='cn'>TRUE</span>, verbose <span class='op'>=</span> <span class='cn'>FALSE</span>, quiet <span class='op'>=</span> <span class='cn'>FALSE</span>, <span class='va'>...</span> @@ -174,6 +177,7 @@ Expectation Maximisation algorithm (SAEM).</p> solution_type <span class='op'>=</span> <span class='st'>"auto"</span>, transformations <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='st'>"mkin"</span>, <span class='st'>"saemix"</span><span class='op'>)</span>, degparms_start <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/numeric.html'>numeric</a></span><span class='op'>(</span><span class='op'>)</span>, + test_log_parms <span class='op'>=</span> <span class='cn'>FALSE</span>, verbose <span class='op'>=</span> <span class='cn'>FALSE</span>, <span class='va'>...</span> <span class='op'>)</span> @@ -206,6 +210,18 @@ SFO or DFOP is used for the parent and there is either no metabolite or one.</p> be used to override the starting values obtained from the 'mmkin' object.</p></td> </tr> <tr> + <th>test_log_parms</th> + <td><p>If TRUE, an attempt is made to use more robust starting +values for population parameters fitted as log parameters in mkin (like +rate constants) by only considering rate constants that pass the t-test +when calculating mean degradation parameters using <a href='nlme_function.html'>mean_degparms</a>.</p></td> + </tr> + <tr> + <th>conf.level</th> + <td><p>Possibility to adjust the required confidence level +for parameter that are tested if requested by 'test_log_parms'.</p></td> + </tr> + <tr> <th>solution_type</th> <td><p>Possibility to specify the solution type in case the automatic choice is not desired</p></td> @@ -215,6 +231,11 @@ automatic choice is not desired</p></td> <td><p>Passed to <a href='https://rdrr.io/pkg/saemix/man/saemix.html'>saemix::saemix</a></p></td> </tr> <tr> + <th>fail_with_errors</th> + <td><p>Should a failure to compute standard errors +from the inverse of the Fisher Information Matrix be a failure?</p></td> + </tr> + <tr> <th>verbose</th> <td><p>Should we print information about created objects of type <a href='https://rdrr.io/pkg/saemix/man/SaemixModel-class.html'>saemix::SaemixModel</a> and <a href='https://rdrr.io/pkg/saemix/man/SaemixData-class.html'>saemix::SaemixData</a>?</p></td> @@ -261,33 +282,36 @@ using <a href='mmkin.html'>mmkin</a>.</p> state.ini <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fl'>100</span><span class='op'>)</span>, fixed_initials <span class='op'>=</span> <span class='st'>"parent"</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span> <span class='va'>f_saem_p0_fixed</span> <span class='op'><-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin_parent_p0_fixed</span><span class='op'>)</span> </div><div class='output co'>#> Running main SAEM algorithm -#> [1] "Mon Feb 15 17:12:32 2021" +#> [1] "Tue Mar 9 17:34:44 2021" #> .... #> Minimisation finished -#> [1] "Mon Feb 15 17:12:34 2021"</div><div class='input'> +#> [1] "Tue Mar 9 17:34:45 2021"</div><div class='input'> <span class='va'>f_mmkin_parent</span> <span class='op'><-</span> <span class='fu'><a href='mmkin.html'>mmkin</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='st'>"SFO"</span>, <span class='st'>"FOMC"</span>, <span class='st'>"DFOP"</span><span class='op'>)</span>, <span class='va'>ds</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span> <span class='va'>f_saem_sfo</span> <span class='op'><-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin_parent</span><span class='op'>[</span><span class='st'>"SFO"</span>, <span class='op'>]</span><span class='op'>)</span> </div><div class='output co'>#> Running main SAEM algorithm -#> [1] "Mon Feb 15 17:12:35 2021" +#> [1] "Tue Mar 9 17:34:46 2021" #> .... #> Minimisation finished -#> [1] "Mon Feb 15 17:12:36 2021"</div><div class='input'><span class='va'>f_saem_fomc</span> <span class='op'><-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin_parent</span><span class='op'>[</span><span class='st'>"FOMC"</span>, <span class='op'>]</span><span class='op'>)</span> +#> [1] "Tue Mar 9 17:34:48 2021"</div><div class='input'><span class='va'>f_saem_fomc</span> <span class='op'><-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin_parent</span><span class='op'>[</span><span class='st'>"FOMC"</span>, <span class='op'>]</span><span class='op'>)</span> </div><div class='output co'>#> Running main SAEM algorithm -#> [1] "Mon Feb 15 17:12:36 2021" +#> [1] "Tue Mar 9 17:34:48 2021" #> .... #> Minimisation finished -#> [1] "Mon Feb 15 17:12:38 2021"</div><div class='input'><span class='va'>f_saem_dfop</span> <span class='op'><-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin_parent</span><span class='op'>[</span><span class='st'>"DFOP"</span>, <span class='op'>]</span><span class='op'>)</span> +#> [1] "Tue Mar 9 17:34:50 2021"</div><div class='input'><span class='va'>f_saem_dfop</span> <span class='op'><-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin_parent</span><span class='op'>[</span><span class='st'>"DFOP"</span>, <span class='op'>]</span><span class='op'>)</span> </div><div class='output co'>#> Running main SAEM algorithm -#> [1] "Mon Feb 15 17:12:39 2021" +#> [1] "Tue Mar 9 17:34:51 2021" #> .... #> Minimisation finished -#> [1] "Mon Feb 15 17:12:42 2021"</div><div class='input'> +#> [1] "Tue Mar 9 17:34:53 2021"</div><div class='input'> <span class='co'># The returned saem.mmkin object contains an SaemixObject, therefore we can use</span> <span class='co'># functions from saemix</span> <span class='kw'><a href='https://rdrr.io/r/base/library.html'>library</a></span><span class='op'>(</span><span class='va'>saemix</span><span class='op'>)</span> </div><div class='output co'>#> <span class='message'>Package saemix, version 3.1.9000</span> -#> <span class='message'> please direct bugs, questions and feedback to emmanuelle.comets@inserm.fr</span></div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/compare.saemix.html'>compare.saemix</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span><span class='va'>f_saem_sfo</span><span class='op'>$</span><span class='va'>so</span>, <span class='va'>f_saem_fomc</span><span class='op'>$</span><span class='va'>so</span>, <span class='va'>f_saem_dfop</span><span class='op'>$</span><span class='va'>so</span><span class='op'>)</span><span class='op'>)</span> -</div><div class='output co'>#> <span class='error'>Error in compare.saemix(list(f_saem_sfo$so, f_saem_fomc$so, f_saem_dfop$so)): 'compare.saemix' requires at least two models.</span></div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/plot-SaemixObject-method.html'>plot</a></span><span class='op'>(</span><span class='va'>f_saem_fomc</span><span class='op'>$</span><span class='va'>so</span>, plot.type <span class='op'>=</span> <span class='st'>"convergence"</span><span class='op'>)</span> +#> <span class='message'> please direct bugs, questions and feedback to emmanuelle.comets@inserm.fr</span></div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/compare.saemix.html'>compare.saemix</a></span><span class='op'>(</span><span class='va'>f_saem_sfo</span><span class='op'>$</span><span class='va'>so</span>, <span class='va'>f_saem_fomc</span><span class='op'>$</span><span class='va'>so</span>, <span class='va'>f_saem_dfop</span><span class='op'>$</span><span class='va'>so</span><span class='op'>)</span> +</div><div class='output co'>#> <span class='message'>Likelihoods calculated by importance sampling</span></div><div class='output co'>#> AIC BIC +#> 1 624.2484 622.2956 +#> 2 467.7096 464.9757 +#> 3 495.4373 491.9222</div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/plot-SaemixObject-method.html'>plot</a></span><span class='op'>(</span><span class='va'>f_saem_fomc</span><span class='op'>$</span><span class='va'>so</span>, plot.type <span class='op'>=</span> <span class='st'>"convergence"</span><span class='op'>)</span> </div><div class='output co'>#> Plotting convergence plots</div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/plot-SaemixObject-method.html'>plot</a></span><span class='op'>(</span><span class='va'>f_saem_fomc</span><span class='op'>$</span><span class='va'>so</span>, plot.type <span class='op'>=</span> <span class='st'>"individual.fit"</span><span class='op'>)</span> </div><div class='img'><img src='saem-1.png' alt='' width='700' height='433' /></div><div class='output co'>#> Plotting individual fits</div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/plot-SaemixObject-method.html'>plot</a></span><span class='op'>(</span><span class='va'>f_saem_fomc</span><span class='op'>$</span><span class='va'>so</span>, plot.type <span class='op'>=</span> <span class='st'>"npde"</span><span class='op'>)</span> </div><div class='img'><img src='saem-2.png' alt='' width='700' height='433' /></div><div class='output co'>#> Simulating data using nsim = 1000 simulated datasets @@ -324,11 +348,13 @@ using <a href='mmkin.html'>mmkin</a>.</p> <span class='va'>f_mmkin_parent_tc</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/update.html'>update</a></span><span class='op'>(</span><span class='va'>f_mmkin_parent</span>, error_model <span class='op'>=</span> <span class='st'>"tc"</span><span class='op'>)</span> <span class='va'>f_saem_fomc_tc</span> <span class='op'><-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin_parent_tc</span><span class='op'>[</span><span class='st'>"FOMC"</span>, <span class='op'>]</span><span class='op'>)</span> </div><div class='output co'>#> Running main SAEM algorithm -#> [1] "Mon Feb 15 17:12:44 2021" +#> [1] "Tue Mar 9 17:34:55 2021" #> .... #> Minimisation finished -#> [1] "Mon Feb 15 17:12:49 2021"</div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/compare.saemix.html'>compare.saemix</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span><span class='va'>f_saem_fomc</span><span class='op'>$</span><span class='va'>so</span>, <span class='va'>f_saem_fomc_tc</span><span class='op'>$</span><span class='va'>so</span><span class='op'>)</span><span class='op'>)</span> -</div><div class='output co'>#> <span class='error'>Error in compare.saemix(list(f_saem_fomc$so, f_saem_fomc_tc$so)): 'compare.saemix' requires at least two models.</span></div><div class='input'> +#> [1] "Tue Mar 9 17:35:00 2021"</div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/compare.saemix.html'>compare.saemix</a></span><span class='op'>(</span><span class='va'>f_saem_fomc</span><span class='op'>$</span><span class='va'>so</span>, <span class='va'>f_saem_fomc_tc</span><span class='op'>$</span><span class='va'>so</span><span class='op'>)</span> +</div><div class='output co'>#> <span class='message'>Likelihoods calculated by importance sampling</span></div><div class='output co'>#> AIC BIC +#> 1 467.7096 464.9757 +#> 2 469.6831 466.5586</div><div class='input'> <span class='va'>sfo_sfo</span> <span class='op'><-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"SFO"</span>, <span class='st'>"A1"</span><span class='op'>)</span>, A1 <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"SFO"</span><span class='op'>)</span><span class='op'>)</span> </div><div class='output co'>#> <span class='message'>Temporary DLL for differentials generated and loaded</span></div><div class='input'><span class='va'>fomc_sfo</span> <span class='op'><-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"FOMC"</span>, <span class='st'>"A1"</span><span class='op'>)</span>, @@ -346,15 +372,15 @@ using <a href='mmkin.html'>mmkin</a>.</p> <span class='co'># four minutes</span> <span class='va'>f_saem_sfo_sfo</span> <span class='op'><-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin</span><span class='op'>[</span><span class='st'>"SFO-SFO"</span>, <span class='op'>]</span><span class='op'>)</span> </div><div class='output co'>#> Running main SAEM algorithm -#> [1] "Mon Feb 15 17:12:51 2021" +#> [1] "Tue Mar 9 17:35:02 2021" #> .... #> Minimisation finished -#> [1] "Mon Feb 15 17:12:56 2021"</div><div class='input'><span class='va'>f_saem_dfop_sfo</span> <span class='op'><-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin</span><span class='op'>[</span><span class='st'>"DFOP-SFO"</span>, <span class='op'>]</span><span class='op'>)</span> +#> [1] "Tue Mar 9 17:35:07 2021"</div><div class='input'><span class='va'>f_saem_dfop_sfo</span> <span class='op'><-</span> <span class='fu'>saem</span><span class='op'>(</span><span class='va'>f_mmkin</span><span class='op'>[</span><span class='st'>"DFOP-SFO"</span>, <span class='op'>]</span><span class='op'>)</span> </div><div class='output co'>#> Running main SAEM algorithm -#> [1] "Mon Feb 15 17:12:56 2021" +#> [1] "Tue Mar 9 17:35:07 2021" #> .... #> Minimisation finished -#> [1] "Mon Feb 15 17:13:05 2021"</div><div class='input'><span class='co'># We can use print, plot and summary methods to check the results</span> +#> [1] "Tue Mar 9 17:35:15 2021"</div><div class='input'><span class='co'># We can use print, plot and summary methods to check the results</span> <span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>f_saem_dfop_sfo</span><span class='op'>)</span> </div><div class='output co'>#> Kinetic nonlinear mixed-effects model fit by SAEM #> Structural model: @@ -395,10 +421,10 @@ using <a href='mmkin.html'>mmkin</a>.</p> #> SD.g_qlogis 0.44771 -0.86417 1.7596</div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/plot-SaemixObject-method.html'>plot</a></span><span class='op'>(</span><span class='va'>f_saem_dfop_sfo</span><span class='op'>)</span> </div><div class='img'><img src='saem-5.png' alt='' width='700' height='433' /></div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/summary-methods.html'>summary</a></span><span class='op'>(</span><span class='va'>f_saem_dfop_sfo</span>, data <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span> </div><div class='output co'>#> saemix version used for fitting: 3.1.9000 -#> mkin version used for pre-fitting: 1.0.3.9000 -#> R version used for fitting: 4.0.3 -#> Date of fit: Mon Feb 15 17:13:05 2021 -#> Date of summary: Mon Feb 15 17:13:06 2021 +#> mkin version used for pre-fitting: 1.0.4.9000 +#> R version used for fitting: 4.0.4 +#> Date of fit: Tue Mar 9 17:35:16 2021 +#> Date of summary: Tue Mar 9 17:35:16 2021 #> #> Equations: #> d_parent/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 * @@ -413,7 +439,7 @@ using <a href='mmkin.html'>mmkin</a>.</p> #> #> Model predictions using solution type analytical #> -#> Fitted in 8.985 s using 300, 100 iterations +#> Fitted in 8.668 s using 300, 100 iterations #> #> Variance model: Constant variance #> diff --git a/docs/dev/reference/summary.saem.mmkin.html b/docs/dev/reference/summary.saem.mmkin.html index 0d661ee9..1166abb1 100644 --- a/docs/dev/reference/summary.saem.mmkin.html +++ b/docs/dev/reference/summary.saem.mmkin.html @@ -76,7 +76,7 @@ endpoints such as formation fractions and DT50 values. Optionally </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.4.9000</span> </span> </div> @@ -260,15 +260,15 @@ saemix authors for the parts inherited from saemix.</p> quiet <span class='op'>=</span> <span class='cn'>TRUE</span>, error_model <span class='op'>=</span> <span class='st'>"tc"</span>, cores <span class='op'>=</span> <span class='fl'>5</span><span class='op'>)</span> <span class='va'>f_saem_dfop_sfo</span> <span class='op'><-</span> <span class='fu'><a href='saem.html'>saem</a></span><span class='op'>(</span><span class='va'>f_mmkin_dfop_sfo</span><span class='op'>)</span> </div><div class='output co'>#> Running main SAEM algorithm -#> [1] "Mon Feb 15 17:13:15 2021" +#> [1] "Tue Mar 9 17:35:19 2021" #> .... #> Minimisation finished -#> [1] "Mon Feb 15 17:13:26 2021"</div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/summary-methods.html'>summary</a></span><span class='op'>(</span><span class='va'>f_saem_dfop_sfo</span>, data <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span> +#> [1] "Tue Mar 9 17:35:30 2021"</div><div class='input'><span class='fu'><a href='https://rdrr.io/pkg/saemix/man/summary-methods.html'>summary</a></span><span class='op'>(</span><span class='va'>f_saem_dfop_sfo</span>, data <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span> </div><div class='output co'>#> saemix version used for fitting: 3.1.9000 -#> mkin version used for pre-fitting: 1.0.3.9000 -#> R version used for fitting: 4.0.3 -#> Date of fit: Mon Feb 15 17:13:27 2021 -#> Date of summary: Mon Feb 15 17:13:27 2021 +#> mkin version used for pre-fitting: 1.0.4.9000 +#> R version used for fitting: 4.0.4 +#> Date of fit: Tue Mar 9 17:35:31 2021 +#> Date of summary: Tue Mar 9 17:35:31 2021 #> #> Equations: #> d_parent/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 * @@ -283,7 +283,7 @@ saemix authors for the parts inherited from saemix.</p> #> #> Model predictions using solution type analytical #> -#> Fitted in 12.204 s using 300, 100 iterations +#> Fitted in 12.058 s using 300, 100 iterations #> #> Variance model: Two-component variance function #> @@ -300,231 +300,231 @@ saemix authors for the parts inherited from saemix.</p> #> #> Likelihood computed by importance sampling #> AIC BIC logLik -#> 829.3 823.9 -400.7 +#> 825.9 820.4 -398.9 #> #> Optimised parameters: -#> est. lower upper -#> parent_0 101.29457 97.855 104.7344 -#> log_k_m1 -4.06337 -4.182 -3.9445 -#> f_parent_qlogis -0.94546 -1.307 -0.5841 -#> log_k1 -2.98794 -3.844 -2.1321 -#> log_k2 -3.47891 -4.253 -2.7050 -#> g_qlogis -0.03211 -1.157 1.0931 +#> est. lower upper +#> parent_0 101.118986 97.368 104.8695 +#> log_k_m1 -4.057591 -4.177 -3.9379 +#> f_parent_qlogis -0.933087 -1.290 -0.5763 +#> log_k1 -2.945520 -3.833 -2.0576 +#> log_k2 -3.531954 -4.310 -2.7542 +#> g_qlogis -0.009584 -1.688 1.6687 #> #> Correlation: #> prnt_0 lg_k_1 f_prn_ log_k1 log_k2 -#> log_k_m1 -0.202 -#> f_parent_qlogis -0.145 0.195 -#> log_k1 0.094 -0.099 -0.049 -#> log_k2 -0.042 0.056 0.024 -0.097 -#> g_qlogis -0.005 0.000 0.007 -0.160 -0.113 +#> log_k_m1 -0.198 +#> f_parent_qlogis -0.153 0.184 +#> log_k1 0.080 -0.077 -0.045 +#> log_k2 0.005 0.008 -0.003 -0.019 +#> g_qlogis -0.059 0.048 0.041 -0.334 -0.253 #> #> Random effects: #> est. lower upper -#> SD.parent_0 2.70085 -0.64980 6.0515 -#> SD.log_k_m1 0.08408 -0.04023 0.2084 -#> SD.f_parent_qlogis 0.39215 0.13695 0.6473 -#> SD.log_k1 0.89280 0.27466 1.5109 -#> SD.log_k2 0.82387 0.26388 1.3838 -#> SD.g_qlogis 0.36468 -0.86978 1.5991 +#> SD.parent_0 2.97797 -0.62927 6.5852 +#> SD.log_k_m1 0.09235 -0.02448 0.2092 +#> SD.f_parent_qlogis 0.38712 0.13469 0.6396 +#> SD.log_k1 0.88671 0.27052 1.5029 +#> SD.log_k2 0.80497 0.25587 1.3541 +#> SD.g_qlogis 0.36812 -3.56188 4.2981 #> #> Variance model: #> est. lower upper -#> a.1 0.65724 0.49361 0.82086 -#> b.1 0.06434 0.05034 0.07835 +#> a.1 0.85879 0.68143 1.03615 +#> b.1 0.07787 0.06288 0.09286 #> #> Backtransformed parameters: #> est. lower upper -#> parent_0 101.29457 97.85477 104.73437 -#> k_m1 0.01719 0.01526 0.01936 -#> f_parent_to_m1 0.27980 0.21302 0.35798 -#> k1 0.05039 0.02141 0.11859 -#> k2 0.03084 0.01422 0.06687 -#> g 0.49197 0.23916 0.74896 +#> parent_0 101.11899 97.36850 104.86947 +#> k_m1 0.01729 0.01534 0.01949 +#> f_parent_to_m1 0.28230 0.21587 0.35979 +#> k1 0.05257 0.02163 0.12776 +#> k2 0.02925 0.01344 0.06366 +#> g 0.49760 0.15606 0.84140 #> #> Resulting formation fractions: #> ff -#> parent_m1 0.2798 -#> parent_sink 0.7202 +#> parent_m1 0.2823 +#> parent_sink 0.7177 #> #> Estimated disappearance times: #> DT50 DT90 DT50back DT50_k1 DT50_k2 -#> parent 17.49 61.05 18.38 13.76 22.47 -#> m1 40.32 133.94 NA NA NA +#> parent 17.47 62.31 18.76 13.18 23.7 +#> m1 40.09 133.17 NA NA NA #> #> Data: -#> ds name time observed predicted residual std standardized -#> ds 1 parent 0 89.8 9.878e+01 8.98039 6.3899 1.40541 -#> ds 1 parent 0 104.1 9.878e+01 -5.31961 6.3899 -0.83251 -#> ds 1 parent 1 88.7 9.422e+01 5.52084 6.0981 0.90533 -#> ds 1 parent 1 95.5 9.422e+01 -1.27916 6.0981 -0.20976 -#> ds 1 parent 3 81.8 8.587e+01 4.06752 5.5641 0.73103 -#> ds 1 parent 3 94.5 8.587e+01 -8.63248 5.5641 -1.55147 -#> ds 1 parent 7 71.5 7.180e+01 0.29615 4.6662 0.06347 -#> ds 1 parent 7 70.3 7.180e+01 1.49615 4.6662 0.32063 -#> ds 1 parent 14 54.2 5.360e+01 -0.59602 3.5112 -0.16975 -#> ds 1 parent 14 49.6 5.360e+01 4.00398 3.5112 1.14035 -#> ds 1 parent 28 31.5 3.213e+01 0.62529 2.1691 0.28828 -#> ds 1 parent 28 28.8 3.213e+01 3.32529 2.1691 1.53306 -#> ds 1 parent 60 12.1 1.271e+01 0.60718 1.0490 0.57879 -#> ds 1 parent 60 13.6 1.271e+01 -0.89282 1.0490 -0.85108 -#> ds 1 parent 90 6.2 6.080e+00 -0.12020 0.7649 -0.15716 -#> ds 1 parent 90 8.3 6.080e+00 -2.22020 0.7649 -2.90279 -#> ds 1 parent 120 2.2 3.011e+00 0.81059 0.6852 1.18302 -#> ds 1 parent 120 2.4 3.011e+00 0.61059 0.6852 0.89113 -#> ds 1 m1 1 0.3 1.131e+00 0.83071 0.6613 1.25628 -#> ds 1 m1 1 0.2 1.131e+00 0.93071 0.6613 1.40750 -#> ds 1 m1 3 2.2 3.147e+00 0.94691 0.6877 1.37688 -#> ds 1 m1 3 3.0 3.147e+00 0.14691 0.6877 0.21361 -#> ds 1 m1 7 6.5 6.341e+00 -0.15949 0.7736 -0.20618 -#> ds 1 m1 7 5.0 6.341e+00 1.34051 0.7736 1.73290 -#> ds 1 m1 14 10.2 9.910e+00 -0.28991 0.9157 -0.31659 -#> ds 1 m1 14 9.5 9.910e+00 0.41009 0.9157 0.44783 -#> ds 1 m1 28 12.2 1.255e+01 0.34690 1.0410 0.33323 -#> ds 1 m1 28 13.4 1.255e+01 -0.85310 1.0410 -0.81949 -#> ds 1 m1 60 11.8 1.087e+01 -0.92713 0.9599 -0.96586 -#> ds 1 m1 60 13.2 1.087e+01 -2.32713 0.9599 -2.42434 -#> ds 1 m1 90 6.6 7.813e+00 1.21254 0.8274 1.46541 -#> ds 1 m1 90 9.3 7.813e+00 -1.48746 0.8274 -1.79766 -#> ds 1 m1 120 3.5 5.295e+00 1.79489 0.7403 2.42457 -#> ds 1 m1 120 5.4 5.295e+00 -0.10511 0.7403 -0.14198 -#> ds 2 parent 0 118.0 1.074e+02 -10.63436 6.9396 -1.53242 -#> ds 2 parent 0 99.8 1.074e+02 7.56564 6.9396 1.09021 -#> ds 2 parent 1 90.2 1.012e+02 10.96486 6.5425 1.67594 -#> ds 2 parent 1 94.6 1.012e+02 6.56486 6.5425 1.00342 -#> ds 2 parent 3 96.1 9.054e+01 -5.56014 5.8627 -0.94839 -#> ds 2 parent 3 78.4 9.054e+01 12.13986 5.8627 2.07069 -#> ds 2 parent 7 77.9 7.468e+01 -3.21805 4.8501 -0.66350 -#> ds 2 parent 7 77.7 7.468e+01 -3.01805 4.8501 -0.62226 -#> ds 2 parent 14 56.0 5.748e+01 1.47774 3.7563 0.39340 -#> ds 2 parent 14 54.7 5.748e+01 2.77774 3.7563 0.73948 -#> ds 2 parent 28 36.6 3.996e+01 3.36317 2.6541 1.26717 -#> ds 2 parent 28 36.8 3.996e+01 3.16317 2.6541 1.19182 -#> ds 2 parent 60 22.1 2.132e+01 -0.78225 1.5210 -0.51430 -#> ds 2 parent 60 24.7 2.132e+01 -3.38225 1.5210 -2.22369 -#> ds 2 parent 90 12.4 1.215e+01 -0.25010 1.0213 -0.24487 -#> ds 2 parent 90 10.8 1.215e+01 1.34990 1.0213 1.32169 -#> ds 2 parent 120 6.8 6.931e+00 0.13105 0.7943 0.16500 -#> ds 2 parent 120 7.9 6.931e+00 -0.96895 0.7943 -1.21994 -#> ds 2 m1 1 1.3 1.519e+00 0.21924 0.6645 0.32995 -#> ds 2 m1 3 3.7 4.049e+00 0.34891 0.7070 0.49351 -#> ds 2 m1 3 4.7 4.049e+00 -0.65109 0.7070 -0.92094 -#> ds 2 m1 7 8.1 7.565e+00 -0.53526 0.8179 -0.65448 -#> ds 2 m1 7 7.9 7.565e+00 -0.33526 0.8179 -0.40993 -#> ds 2 m1 14 10.1 1.071e+01 0.60614 0.9521 0.63663 -#> ds 2 m1 14 10.3 1.071e+01 0.40614 0.9521 0.42657 -#> ds 2 m1 28 10.7 1.224e+01 1.54440 1.0260 1.50526 -#> ds 2 m1 28 12.2 1.224e+01 0.04440 1.0260 0.04327 -#> ds 2 m1 60 10.7 1.056e+01 -0.14005 0.9453 -0.14815 -#> ds 2 m1 60 12.5 1.056e+01 -1.94005 0.9453 -2.05226 -#> ds 2 m1 90 9.1 8.089e+00 -1.01088 0.8384 -1.20577 -#> ds 2 m1 90 7.4 8.089e+00 0.68912 0.8384 0.82197 -#> ds 2 m1 120 6.1 5.855e+00 -0.24463 0.7576 -0.32292 -#> ds 2 m1 120 4.5 5.855e+00 1.35537 0.7576 1.78911 -#> ds 3 parent 0 106.2 1.095e+02 3.30335 7.0765 0.46680 -#> ds 3 parent 0 106.9 1.095e+02 2.60335 7.0765 0.36788 -#> ds 3 parent 1 107.4 9.939e+01 -8.01282 6.4287 -1.24641 -#> ds 3 parent 1 96.1 9.939e+01 3.28718 6.4287 0.51133 -#> ds 3 parent 3 79.4 8.365e+01 4.24698 5.4222 0.78326 -#> ds 3 parent 3 82.6 8.365e+01 1.04698 5.4222 0.19309 -#> ds 3 parent 7 63.9 6.405e+01 0.14704 4.1732 0.03523 -#> ds 3 parent 7 62.4 6.405e+01 1.64704 4.1732 0.39467 -#> ds 3 parent 14 51.0 4.795e+01 -3.04985 3.1546 -0.96681 -#> ds 3 parent 14 47.1 4.795e+01 0.85015 3.1546 0.26950 -#> ds 3 parent 28 36.1 3.501e+01 -1.09227 2.3465 -0.46549 -#> ds 3 parent 28 36.6 3.501e+01 -1.59227 2.3465 -0.67858 -#> ds 3 parent 60 20.1 2.012e+01 0.02116 1.4520 0.01457 -#> ds 3 parent 60 19.8 2.012e+01 0.32116 1.4520 0.22119 -#> ds 3 parent 90 11.3 1.206e+01 0.76096 1.0170 0.74826 -#> ds 3 parent 90 10.7 1.206e+01 1.36096 1.0170 1.33825 -#> ds 3 parent 120 8.2 7.230e+00 -0.97022 0.8052 -1.20493 -#> ds 3 parent 120 7.3 7.230e+00 -0.07022 0.8052 -0.08721 -#> ds 3 m1 0 0.8 -5.684e-13 -0.80000 0.6572 -1.21722 -#> ds 3 m1 1 1.8 2.045e+00 0.24538 0.6703 0.36608 -#> ds 3 m1 1 2.3 2.045e+00 -0.25462 0.6703 -0.37987 -#> ds 3 m1 3 4.2 5.136e+00 0.93594 0.7356 1.27228 -#> ds 3 m1 3 4.1 5.136e+00 1.03594 0.7356 1.40822 -#> ds 3 m1 7 6.8 8.674e+00 1.87438 0.8623 2.17381 -#> ds 3 m1 7 10.1 8.674e+00 -1.42562 0.8623 -1.65335 -#> ds 3 m1 14 11.4 1.083e+01 -0.56746 0.9580 -0.59233 -#> ds 3 m1 14 12.8 1.083e+01 -1.96746 0.9580 -2.05369 -#> ds 3 m1 28 11.5 1.098e+01 -0.51762 0.9651 -0.53637 -#> ds 3 m1 28 10.6 1.098e+01 0.38238 0.9651 0.39623 -#> ds 3 m1 60 7.5 8.889e+00 1.38911 0.8713 1.59436 -#> ds 3 m1 60 8.6 8.889e+00 0.28911 0.8713 0.33183 -#> ds 3 m1 90 7.3 6.774e+00 -0.52608 0.7886 -0.66708 -#> ds 3 m1 90 8.1 6.774e+00 -1.32608 0.7886 -1.68150 -#> ds 3 m1 120 5.3 4.954e+00 -0.34584 0.7305 -0.47345 -#> ds 3 m1 120 3.8 4.954e+00 1.15416 0.7305 1.58004 -#> ds 4 parent 0 104.7 9.957e+01 -5.13169 6.4403 -0.79681 -#> ds 4 parent 0 88.3 9.957e+01 11.26831 6.4403 1.74966 -#> ds 4 parent 1 94.2 9.644e+01 2.23888 6.2400 0.35879 -#> ds 4 parent 1 94.6 9.644e+01 1.83888 6.2400 0.29469 -#> ds 4 parent 3 78.1 9.054e+01 12.43946 5.8627 2.12180 -#> ds 4 parent 3 96.5 9.054e+01 -5.96054 5.8627 -1.01669 -#> ds 4 parent 7 76.2 8.004e+01 3.83771 5.1918 0.73919 -#> ds 4 parent 7 77.8 8.004e+01 2.23771 5.1918 0.43101 -#> ds 4 parent 14 70.8 6.511e+01 -5.69246 4.2406 -1.34238 -#> ds 4 parent 14 67.3 6.511e+01 -2.19246 4.2406 -0.51702 -#> ds 4 parent 28 43.1 4.454e+01 1.43744 2.9401 0.48890 -#> ds 4 parent 28 45.1 4.454e+01 -0.56256 2.9401 -0.19134 -#> ds 4 parent 60 21.3 2.132e+01 0.02005 1.5211 0.01318 -#> ds 4 parent 60 23.5 2.132e+01 -2.17995 1.5211 -1.43310 -#> ds 4 parent 90 11.8 1.182e+01 0.02167 1.0053 0.02156 -#> ds 4 parent 90 12.1 1.182e+01 -0.27833 1.0053 -0.27687 -#> ds 4 parent 120 7.0 6.852e+00 -0.14780 0.7914 -0.18675 -#> ds 4 parent 120 6.2 6.852e+00 0.65220 0.7914 0.82408 -#> ds 4 m1 0 1.6 -5.684e-14 -1.60000 0.6572 -2.43444 -#> ds 4 m1 1 0.9 6.918e-01 -0.20821 0.6587 -0.31607 -#> ds 4 m1 3 3.7 1.959e+00 -1.74131 0.6692 -2.60204 -#> ds 4 m1 3 2.0 1.959e+00 -0.04131 0.6692 -0.06173 -#> ds 4 m1 7 3.6 4.076e+00 0.47590 0.7076 0.67252 -#> ds 4 m1 7 3.8 4.076e+00 0.27590 0.7076 0.38989 -#> ds 4 m1 14 7.1 6.698e+00 -0.40189 0.7859 -0.51135 -#> ds 4 m1 14 6.6 6.698e+00 0.09811 0.7859 0.12483 -#> ds 4 m1 28 9.5 9.175e+00 -0.32492 0.8835 -0.36779 -#> ds 4 m1 28 9.3 9.175e+00 -0.12492 0.8835 -0.14141 -#> ds 4 m1 60 8.3 8.818e+00 0.51810 0.8683 0.59671 -#> ds 4 m1 60 9.0 8.818e+00 -0.18190 0.8683 -0.20949 -#> ds 4 m1 90 6.6 6.645e+00 0.04480 0.7841 0.05713 -#> ds 4 m1 90 7.7 6.645e+00 -1.05520 0.7841 -1.34581 -#> ds 4 m1 120 3.7 4.648e+00 0.94805 0.7221 1.31293 -#> ds 4 m1 120 3.5 4.648e+00 1.14805 0.7221 1.58991 -#> ds 5 parent 0 110.4 1.026e+02 -7.81752 6.6333 -1.17853 -#> ds 5 parent 0 112.1 1.026e+02 -9.51752 6.6333 -1.43482 -#> ds 5 parent 1 93.5 9.560e+01 2.10274 6.1865 0.33989 -#> ds 5 parent 1 91.0 9.560e+01 4.60274 6.1865 0.74399 -#> ds 5 parent 3 71.0 8.356e+01 12.55799 5.4165 2.31846 -#> ds 5 parent 3 89.7 8.356e+01 -6.14201 5.4165 -1.13394 -#> ds 5 parent 7 60.4 6.550e+01 5.09732 4.2653 1.19506 -#> ds 5 parent 7 59.1 6.550e+01 6.39732 4.2653 1.49984 -#> ds 5 parent 14 56.5 4.641e+01 -10.09145 3.0576 -3.30044 -#> ds 5 parent 14 47.0 4.641e+01 -0.59145 3.0576 -0.19344 -#> ds 5 parent 28 30.2 2.982e+01 -0.37647 2.0284 -0.18560 -#> ds 5 parent 28 23.9 2.982e+01 5.92353 2.0284 2.92028 -#> ds 5 parent 60 17.0 1.754e+01 0.53981 1.3060 0.41332 -#> ds 5 parent 60 18.7 1.754e+01 -1.16019 1.3060 -0.88834 -#> ds 5 parent 90 11.3 1.175e+01 0.45050 1.0018 0.44969 -#> ds 5 parent 90 11.9 1.175e+01 -0.14950 1.0018 -0.14923 -#> ds 5 parent 120 9.0 7.915e+00 -1.08476 0.8315 -1.30462 -#> ds 5 parent 120 8.1 7.915e+00 -0.18476 0.8315 -0.22220 -#> ds 5 m1 0 0.7 0.000e+00 -0.70000 0.6572 -1.06507 -#> ds 5 m1 1 3.0 3.062e+00 0.06170 0.6861 0.08992 -#> ds 5 m1 1 2.6 3.062e+00 0.46170 0.6861 0.67290 -#> ds 5 m1 3 5.1 8.209e+00 3.10938 0.8432 3.68760 -#> ds 5 m1 3 7.5 8.209e+00 0.70938 0.8432 0.84130 -#> ds 5 m1 7 16.5 1.544e+01 -1.05567 1.1914 -0.88605 -#> ds 5 m1 7 19.0 1.544e+01 -3.55567 1.1914 -2.98436 -#> ds 5 m1 14 22.9 2.181e+01 -1.08765 1.5498 -0.70181 -#> ds 5 m1 14 23.2 2.181e+01 -1.38765 1.5498 -0.89539 -#> ds 5 m1 28 22.2 2.404e+01 1.83624 1.6805 1.09270 -#> ds 5 m1 28 24.4 2.404e+01 -0.36376 1.6805 -0.21647 -#> ds 5 m1 60 15.5 1.875e+01 3.25390 1.3741 2.36805 -#> ds 5 m1 60 19.8 1.875e+01 -1.04610 1.3741 -0.76131 -#> ds 5 m1 90 14.9 1.380e+01 -1.09507 1.1050 -0.99102 -#> ds 5 m1 90 14.2 1.380e+01 -0.39507 1.1050 -0.35753 -#> ds 5 m1 120 10.9 1.002e+01 -0.88429 0.9205 -0.96069 -#> ds 5 m1 120 10.4 1.002e+01 -0.38429 0.9205 -0.41749</div><div class='input'><span class='co'># }</span> +#> ds name time observed predicted residual std standardized +#> ds 1 parent 0 89.8 9.838e+01 8.584661 7.7094 1.113536 +#> ds 1 parent 0 104.1 9.838e+01 -5.715339 7.7094 -0.741350 +#> ds 1 parent 1 88.7 9.388e+01 5.182489 7.3611 0.704041 +#> ds 1 parent 1 95.5 9.388e+01 -1.617511 7.3611 -0.219739 +#> ds 1 parent 3 81.8 8.563e+01 3.825382 6.7229 0.569010 +#> ds 1 parent 3 94.5 8.563e+01 -8.874618 6.7229 -1.320062 +#> ds 1 parent 7 71.5 7.169e+01 0.188290 5.6482 0.033336 +#> ds 1 parent 7 70.3 7.169e+01 1.388290 5.6482 0.245795 +#> ds 1 parent 14 54.2 5.361e+01 -0.586595 4.2624 -0.137621 +#> ds 1 parent 14 49.6 5.361e+01 4.013405 4.2624 0.941587 +#> ds 1 parent 28 31.5 3.219e+01 0.688936 2.6496 0.260011 +#> ds 1 parent 28 28.8 3.219e+01 3.388936 2.6496 1.279016 +#> ds 1 parent 60 12.1 1.278e+01 0.678998 1.3145 0.516562 +#> ds 1 parent 60 13.6 1.278e+01 -0.821002 1.3145 -0.624595 +#> ds 1 parent 90 6.2 6.157e+00 -0.043461 0.9835 -0.044188 +#> ds 1 parent 90 8.3 6.157e+00 -2.143461 0.9835 -2.179316 +#> ds 1 parent 120 2.2 3.076e+00 0.876218 0.8916 0.982775 +#> ds 1 parent 120 2.4 3.076e+00 0.676218 0.8916 0.758453 +#> ds 1 m1 1 0.3 1.134e+00 0.833749 0.8633 0.965750 +#> ds 1 m1 1 0.2 1.134e+00 0.933749 0.8633 1.081583 +#> ds 1 m1 3 2.2 3.157e+00 0.957400 0.8933 1.071763 +#> ds 1 m1 3 3.0 3.157e+00 0.157400 0.8933 0.176202 +#> ds 1 m1 7 6.5 6.369e+00 -0.130995 0.9917 -0.132090 +#> ds 1 m1 7 5.0 6.369e+00 1.369005 0.9917 1.380438 +#> ds 1 m1 14 10.2 9.971e+00 -0.229362 1.1577 -0.198112 +#> ds 1 m1 14 9.5 9.971e+00 0.470638 1.1577 0.406513 +#> ds 1 m1 28 12.2 1.265e+01 0.447735 1.3067 0.342637 +#> ds 1 m1 28 13.4 1.265e+01 -0.752265 1.3067 -0.575683 +#> ds 1 m1 60 11.8 1.097e+01 -0.832027 1.2112 -0.686945 +#> ds 1 m1 60 13.2 1.097e+01 -2.232027 1.2112 -1.842825 +#> ds 1 m1 90 6.6 7.876e+00 1.275985 1.0553 1.209109 +#> ds 1 m1 90 9.3 7.876e+00 -1.424015 1.0553 -1.349381 +#> ds 1 m1 120 3.5 5.336e+00 1.835829 0.9540 1.924292 +#> ds 1 m1 120 5.4 5.336e+00 -0.064171 0.9540 -0.067263 +#> ds 2 parent 0 118.0 1.092e+02 -8.812058 8.5459 -1.031142 +#> ds 2 parent 0 99.8 1.092e+02 9.387942 8.5459 1.098529 +#> ds 2 parent 1 90.2 1.023e+02 12.114268 8.0135 1.511724 +#> ds 2 parent 1 94.6 1.023e+02 7.714268 8.0135 0.962654 +#> ds 2 parent 3 96.1 9.066e+01 -5.436165 7.1122 -0.764344 +#> ds 2 parent 3 78.4 9.066e+01 12.263835 7.1122 1.724339 +#> ds 2 parent 7 77.9 7.365e+01 -4.245773 5.7995 -0.732090 +#> ds 2 parent 7 77.7 7.365e+01 -4.045773 5.7995 -0.697604 +#> ds 2 parent 14 56.0 5.593e+01 -0.073803 4.4389 -0.016626 +#> ds 2 parent 14 54.7 5.593e+01 1.226197 4.4389 0.276236 +#> ds 2 parent 28 36.6 3.892e+01 2.320837 3.1502 0.736737 +#> ds 2 parent 28 36.8 3.892e+01 2.120837 3.1502 0.673248 +#> ds 2 parent 60 22.1 2.136e+01 -0.741020 1.8719 -0.395868 +#> ds 2 parent 60 24.7 2.136e+01 -3.341020 1.8719 -1.784841 +#> ds 2 parent 90 12.4 1.251e+01 0.113999 1.2989 0.087765 +#> ds 2 parent 90 10.8 1.251e+01 1.713999 1.2989 1.319575 +#> ds 2 parent 120 6.8 7.338e+00 0.537708 1.0315 0.521281 +#> ds 2 parent 120 7.9 7.338e+00 -0.562292 1.0315 -0.545113 +#> ds 2 m1 1 1.3 1.576e+00 0.276176 0.8675 0.318352 +#> ds 2 m1 3 3.7 4.177e+00 0.476741 0.9183 0.519146 +#> ds 2 m1 3 4.7 4.177e+00 -0.523259 0.9183 -0.569801 +#> ds 2 m1 7 8.1 7.724e+00 -0.376365 1.0485 -0.358970 +#> ds 2 m1 7 7.9 7.724e+00 -0.176365 1.0485 -0.168214 +#> ds 2 m1 14 10.1 1.077e+01 0.674433 1.2006 0.561738 +#> ds 2 m1 14 10.3 1.077e+01 0.474433 1.2006 0.395158 +#> ds 2 m1 28 10.7 1.212e+01 1.416179 1.2758 1.110010 +#> ds 2 m1 28 12.2 1.212e+01 -0.083821 1.2758 -0.065699 +#> ds 2 m1 60 10.7 1.041e+01 -0.294930 1.1807 -0.249793 +#> ds 2 m1 60 12.5 1.041e+01 -2.094930 1.1807 -1.774316 +#> ds 2 m1 90 9.1 8.079e+00 -1.020859 1.0646 -0.958929 +#> ds 2 m1 90 7.4 8.079e+00 0.679141 1.0646 0.637941 +#> ds 2 m1 120 6.1 5.968e+00 -0.131673 0.9765 -0.134843 +#> ds 2 m1 120 4.5 5.968e+00 1.468327 0.9765 1.503683 +#> ds 3 parent 0 106.2 1.036e+02 -2.638248 8.1101 -0.325303 +#> ds 3 parent 0 106.9 1.036e+02 -3.338248 8.1101 -0.411614 +#> ds 3 parent 1 107.4 9.580e+01 -11.600063 7.5094 -1.544743 +#> ds 3 parent 1 96.1 9.580e+01 -0.300063 7.5094 -0.039958 +#> ds 3 parent 3 79.4 8.297e+01 3.574516 6.5182 0.548391 +#> ds 3 parent 3 82.6 8.297e+01 0.374516 6.5182 0.057457 +#> ds 3 parent 7 63.9 6.517e+01 1.272397 5.1472 0.247200 +#> ds 3 parent 7 62.4 6.517e+01 2.772397 5.1472 0.538618 +#> ds 3 parent 14 51.0 4.821e+01 -2.790075 3.8512 -0.724475 +#> ds 3 parent 14 47.1 4.821e+01 1.109925 3.8512 0.288205 +#> ds 3 parent 28 36.1 3.385e+01 -2.250573 2.7723 -0.811811 +#> ds 3 parent 28 36.6 3.385e+01 -2.750573 2.7723 -0.992168 +#> ds 3 parent 60 20.1 1.964e+01 -0.455700 1.7543 -0.259760 +#> ds 3 parent 60 19.8 1.964e+01 -0.155700 1.7543 -0.088753 +#> ds 3 parent 90 11.3 1.210e+01 0.795458 1.2746 0.624068 +#> ds 3 parent 90 10.7 1.210e+01 1.395458 1.2746 1.094792 +#> ds 3 parent 120 8.2 7.451e+00 -0.749141 1.0364 -0.722816 +#> ds 3 parent 120 7.3 7.451e+00 0.150859 1.0364 0.145558 +#> ds 3 m1 0 0.8 3.695e-13 -0.800000 0.8588 -0.931542 +#> ds 3 m1 1 1.8 1.740e+00 -0.059741 0.8694 -0.068714 +#> ds 3 m1 1 2.3 1.740e+00 -0.559741 0.8694 -0.643812 +#> ds 3 m1 3 4.2 4.531e+00 0.331379 0.9285 0.356913 +#> ds 3 m1 3 4.1 4.531e+00 0.431379 0.9285 0.464618 +#> ds 3 m1 7 6.8 8.113e+00 1.312762 1.0661 1.231333 +#> ds 3 m1 7 10.1 8.113e+00 -1.987238 1.0661 -1.863971 +#> ds 3 m1 14 11.4 1.079e+01 -0.613266 1.2013 -0.510507 +#> ds 3 m1 14 12.8 1.079e+01 -2.013266 1.2013 -1.675923 +#> ds 3 m1 28 11.5 1.133e+01 -0.174252 1.2310 -0.141553 +#> ds 3 m1 28 10.6 1.133e+01 0.725748 1.2310 0.589558 +#> ds 3 m1 60 7.5 8.948e+00 1.448281 1.1059 1.309561 +#> ds 3 m1 60 8.6 8.948e+00 0.348281 1.1059 0.314922 +#> ds 3 m1 90 7.3 6.665e+00 -0.634932 1.0034 -0.632752 +#> ds 3 m1 90 8.1 6.665e+00 -1.434932 1.0034 -1.430004 +#> ds 3 m1 120 5.3 4.795e+00 -0.504936 0.9365 -0.539199 +#> ds 3 m1 120 3.8 4.795e+00 0.995064 0.9365 1.062586 +#> ds 4 parent 0 104.7 9.985e+01 -4.850494 7.8227 -0.620050 +#> ds 4 parent 0 88.3 9.985e+01 11.549506 7.8227 1.476402 +#> ds 4 parent 1 94.2 9.676e+01 2.556304 7.5834 0.337093 +#> ds 4 parent 1 94.6 9.676e+01 2.156304 7.5834 0.284346 +#> ds 4 parent 3 78.1 9.092e+01 12.817485 7.1318 1.797230 +#> ds 4 parent 3 96.5 9.092e+01 -5.582515 7.1318 -0.782764 +#> ds 4 parent 7 76.2 8.050e+01 4.297338 6.3270 0.679204 +#> ds 4 parent 7 77.8 8.050e+01 2.697338 6.3270 0.426320 +#> ds 4 parent 14 70.8 6.562e+01 -5.179989 5.1816 -0.999687 +#> ds 4 parent 14 67.3 6.562e+01 -1.679989 5.1816 -0.324222 +#> ds 4 parent 28 43.1 4.499e+01 1.886936 3.6069 0.523140 +#> ds 4 parent 28 45.1 4.499e+01 -0.113064 3.6069 -0.031346 +#> ds 4 parent 60 21.3 2.151e+01 0.214840 1.8827 0.114114 +#> ds 4 parent 60 23.5 2.151e+01 -1.985160 1.8827 -1.054433 +#> ds 4 parent 90 11.8 1.190e+01 0.098528 1.2633 0.077990 +#> ds 4 parent 90 12.1 1.190e+01 -0.201472 1.2633 -0.159475 +#> ds 4 parent 120 7.0 6.886e+00 -0.113832 1.0125 -0.112431 +#> ds 4 parent 120 6.2 6.886e+00 0.686168 1.0125 0.677724 +#> ds 4 m1 0 1.6 4.263e-14 -1.600000 0.8588 -1.863085 +#> ds 4 m1 1 0.9 7.140e-01 -0.185984 0.8606 -0.216112 +#> ds 4 m1 3 3.7 2.022e+00 -1.678243 0.8731 -1.922160 +#> ds 4 m1 3 2.0 2.022e+00 0.021757 0.8731 0.024919 +#> ds 4 m1 7 3.6 4.207e+00 0.607229 0.9192 0.660633 +#> ds 4 m1 7 3.8 4.207e+00 0.407229 0.9192 0.443044 +#> ds 4 m1 14 7.1 6.912e+00 -0.188339 1.0135 -0.185828 +#> ds 4 m1 14 6.6 6.912e+00 0.311661 1.0135 0.307506 +#> ds 4 m1 28 9.5 9.449e+00 -0.050714 1.1309 -0.044843 +#> ds 4 m1 28 9.3 9.449e+00 0.149286 1.1309 0.132004 +#> ds 4 m1 60 8.3 8.997e+00 0.697403 1.1083 0.629230 +#> ds 4 m1 60 9.0 8.997e+00 -0.002597 1.1083 -0.002343 +#> ds 4 m1 90 6.6 6.697e+00 0.096928 1.0047 0.096472 +#> ds 4 m1 90 7.7 6.697e+00 -1.003072 1.0047 -0.998348 +#> ds 4 m1 120 3.7 4.622e+00 0.921607 0.9312 0.989749 +#> ds 4 m1 120 3.5 4.622e+00 1.121607 0.9312 1.204537 +#> ds 5 parent 0 110.4 1.045e+02 -5.942426 8.1795 -0.726502 +#> ds 5 parent 0 112.1 1.045e+02 -7.642426 8.1795 -0.934338 +#> ds 5 parent 1 93.5 9.739e+01 3.893915 7.6327 0.510162 +#> ds 5 parent 1 91.0 9.739e+01 6.393915 7.6327 0.837700 +#> ds 5 parent 3 71.0 8.519e+01 14.188275 6.6891 2.121098 +#> ds 5 parent 3 89.7 8.519e+01 -4.511725 6.6891 -0.674487 +#> ds 5 parent 7 60.4 6.684e+01 6.439546 5.2753 1.220701 +#> ds 5 parent 7 59.1 6.684e+01 7.739546 5.2753 1.467133 +#> ds 5 parent 14 56.5 4.736e+01 -9.138979 3.7868 -2.413407 +#> ds 5 parent 14 47.0 4.736e+01 0.361021 3.7868 0.095338 +#> ds 5 parent 28 30.2 3.033e+01 0.131178 2.5132 0.052195 +#> ds 5 parent 28 23.9 3.033e+01 6.431178 2.5132 2.558936 +#> ds 5 parent 60 17.0 1.771e+01 0.705246 1.6243 0.434177 +#> ds 5 parent 60 18.7 1.771e+01 -0.994754 1.6243 -0.612409 +#> ds 5 parent 90 11.3 1.180e+01 0.504856 1.2580 0.401315 +#> ds 5 parent 90 11.9 1.180e+01 -0.095144 1.2580 -0.075631 +#> ds 5 parent 120 9.0 7.917e+00 -1.083499 1.0571 -1.024928 +#> ds 5 parent 120 8.1 7.917e+00 -0.183499 1.0571 -0.173579 +#> ds 5 m1 0 0.7 3.553e-15 -0.700000 0.8588 -0.815100 +#> ds 5 m1 1 3.0 3.204e+00 0.204414 0.8943 0.228572 +#> ds 5 m1 1 2.6 3.204e+00 0.604414 0.8943 0.675845 +#> ds 5 m1 3 5.1 8.586e+00 3.485889 1.0884 3.202858 +#> ds 5 m1 3 7.5 8.586e+00 1.085889 1.0884 0.997722 +#> ds 5 m1 7 16.5 1.612e+01 -0.376855 1.5211 -0.247743 +#> ds 5 m1 7 19.0 1.612e+01 -2.876855 1.5211 -1.891237 +#> ds 5 m1 14 22.9 2.267e+01 -0.228264 1.9633 -0.116267 +#> ds 5 m1 14 23.2 2.267e+01 -0.528264 1.9633 -0.269072 +#> ds 5 m1 28 22.2 2.468e+01 2.480178 2.1050 1.178211 +#> ds 5 m1 28 24.4 2.468e+01 0.280178 2.1050 0.133099 +#> ds 5 m1 60 15.5 1.860e+01 3.099615 1.6838 1.840794 +#> ds 5 m1 60 19.8 1.860e+01 -1.200385 1.6838 -0.712883 +#> ds 5 m1 90 14.9 1.326e+01 -1.636345 1.3433 -1.218195 +#> ds 5 m1 90 14.2 1.326e+01 -0.936345 1.3433 -0.697072 +#> ds 5 m1 120 10.9 9.348e+00 -1.551535 1.1258 -1.378133 +#> ds 5 m1 120 10.4 9.348e+00 -1.051535 1.1258 -0.934014</div><div class='input'><span class='co'># }</span> </div></pre> </div> |
