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2014-08-20Fix mkinfit for a special situationJohannes Ranke1-7/+7
See NEWS.md: When the parent was not the (only) variable with the highest value out of all variables in the observed data, it could happen that the initial value (state.ini) was not initialised.
2014-08-19Improve formatting of differential equations in outputJohannes Ranke1-1/+1
Rebuild of FOCUS_Z vignette with improved formatting
2014-07-25Fix internal naming of g for transform_fractions=FALSEJohannes Ranke1-2/+13
2014-07-24Bump version, better default for state.iniJohannes Ranke1-2/+8
2014-07-24Avoid artificial zero residual in mkinresplotJohannes Ranke1-1/+2
2014-07-23Parallel metabolite formation with formation fractions in mkinerrminJohannes Ranke1-3/+4
2014-07-21Bugfix, model shorthand, state.ini[[1]] from observed dataJohannes Ranke2-10/+39
- The bug occurred when using transform_rates=FALSE for FOMC, DFOP or HS - Make it possible to use mkinfit("SFO", ...) - Take initial mean value at time zero for the variable with the highest value in the observed data - Update of vignette/FOCUS_L - Improve the Makefile to build single vignettes
2014-07-17Return complete list of initial states after fittingJohannes Ranke1-1/+4
This is useful for specifying state.ini in a subsequent call to mkinfit
2014-07-17Handle non-convergence and maximum number of iterationsJohannes Ranke1-35/+82
For details see NEWS.md
2014-07-14Bugfix release version 0.9-31Johannes Ranke2-28/+37
2014-07-07Coefficient matrix for formation fractions, no sink and one pathwayJohannes Ranke1-22/+26
2014-07-02Do not introduce formation fractions for singular pathwaysJohannes Ranke2-27/+29
- As a consequence, we do not need implicit formation fractions in mkinfit
2014-07-02Warning -> message, and only if initial parameter was not 1Johannes Ranke1-2/+4
2014-07-02Set implicit formation fraction to 1 even if set otherwise in parms.iniJohannes Ranke1-6/+8
2014-07-02Move handling of implicitly fixed formation fractions to mkinfitJohannes Ranke2-19/+11
2014-07-02Support formation fractions without sink pathway, updatesJohannes Ranke4-102/+215
2014-07-01One more source code commentJohannes Ranke1-0/+2
2014-07-01One more check, update source code commentJohannes Ranke1-2/+3
2014-06-27Reorder endpoints in R/endpoints.R, update vignettesJohannes Ranke1-2/+2
2014-06-27Reorganize the summary in a more logical orderJohannes Ranke1-19/+19
2014-06-26Avoid calculation of formation fractions if fittedJohannes Ranke1-3/+5
2014-06-26Fix naming of SFORB DT50_bx values, fix docsJohannes Ranke1-2/+2
2014-06-26Calculate additional DT50 values for non-SFO modelsJohannes Ranke1-2/+20
2014-06-26Add function for geometric meanJohannes Ranke1-0/+4
2014-06-26Start new version, add xlim to mkinresplotJohannes Ranke1-2/+3
2014-06-25Remove old ID tag, improve commentJohannes Ranke2-4/+3
2014-05-20Step back regarding confidence intervals of formation fractionsJohannes Ranke2-5/+17
- Don't give confidence intervals for formation fractions that belong to a set, only for single formation fractions - Update the vignette with history and background - Correct 'isotropic' into 'isometric' in the ilr documentation, the README and the comments in transform_odeparms - Candidate for release to CRAN
2014-05-15Start new version number, Fix #5 (Inf values in mkinparplot)Johannes Ranke1-1/+2
2014-05-12Fix positioning of labels in mkinparplotJohannes Ranke1-1/+1
2014-05-09Set upper and lower boundx for untransformed fractionsJohannes Ranke1-3/+16
2014-05-07Fork the GUI into package gmkin. See ChangeLog for detailsJohannes Ranke1-11/+0
2014-05-05Get old parameters timely (before calling layout)Johannes Ranke1-2/+2
2014-05-05Fix .Rbuildignore, control font size in mkinparplotJohannes Ranke1-1/+2
2014-05-02Improve labelling in mkinparplotJohannes Ranke1-5/+9
2014-05-02Improve display of confidence intervalsJohannes Ranke1-4/+8
2014-05-02Add missing files for plotting confindence intervalsJohannes Ranke1-0/+53
2014-04-30Fix of bug introduced with t-testJohannes Ranke1-1/+1
2014-04-30Restore t-test (1- and 2-sided) for fitted parametersJohannes Ranke1-3/+6
2014-04-29Restore graphics parameters after plotting with residualsJohannes Ranke1-0/+2
2014-04-29Fix y label in optional residual plot of plot.mkinfitJohannes Ranke1-1/+1
2014-04-28Fix a bug recently introduced to the Hockey stick modelJohannes Ranke1-3/+3
2014-04-28Option to add residual plot to plot.mkinfitJohannes Ranke2-16/+41
2014-04-26Fix the default case for obs_vars in plot.mkinfit()Johannes Ranke1-11/+5
2014-04-26Enable selection of observed variables to plotJohannes Ranke1-11/+14
2014-04-25McCall 2,4,5-T dataset, lower bound for transform_rates=FALSEJohannes Ranke2-4/+13
2014-04-22Possibility to fit without parameter transformationJohannes Ranke2-24/+51
2014-02-27Format of gmkin workspace files, copyright, updatesJohannes Ranke2-1/+3
- Change the format of the workspace files of gmkin so they can be distributed in the mkin package - Add gmkin workspace datasets FOCUS_2006_gmkin and FOCUS_2006_Z_gmkin - Restrict the unit test with the Schaefer data to parent and primary metabolites as formation fraction and DT50 for A2 are higly correlated and passing the test is platform dependent. For example, the test fails in 1 out of 14 platforms on CRAN as of today - Add Eurofins Regulatory AG copyright notices - Import FME and deSolve instead of depending on them to have cleaner startup
2014-01-22Merge branch 'master' of https://github.com/jranke/mkinJohannes Ranke3-20/+13
Conflicts: DESCRIPTION R/mkinfit.R
2014-01-17- Use mkinmod$spec instead of mkinmod$map wherever possible, in order to ↵Johannes Ranke1-4/+4
make it possible to to modify mkinmod$map when the mapping of internal to observed variables should be changed. Note that such modifications will confuse plot.mkinfit and summary.mkinfit. Setting the class attribute to modFit makes summary.modFit useable in such a case
2013-12-04Make it possible to use different ode solvers=2-7/+11

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