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authorJohannes Ranke <jranke@uni-bremen.de>2014-07-17 07:01:12 +0200
committerJohannes Ranke <jranke@uni-bremen.de>2014-07-17 07:01:12 +0200
commit82eb7a1905304206b18bf295614cbcb44ab138f9 (patch)
tree6d9add11e523ba8bf4154591fe886014f3e7a36a /ChangeLog
parenta99eca5024e2102ca42d000478a5bbd874f63169 (diff)
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-2014-05-07 Johannes Ranke <jranke@uni-bremen.de> for gmkin (0.5-01)
-
- * Remove all content that does not belong to the newly established
- GUI package gmkin
- * Update DESCRIPTION, README.md, NAMESPACE, GNUmakefile
- * Update R/gmkin.R and inst/GUI/gmkin.R
- * Move inst/GUI/TODO to TODO
-
-2014-04-28 Johannes Ranke <jranke@uni-bremen.de> for mkin (0.9-26)
-
- * DESCRIPTION: Added copyright information and location of gWidgetsWWW2
- * Possibility to fit without parameter transformation
- * Add McCall 2,4,5-T dataset
- * Enable selection of observed variables in plotting
- * Add possibility to show residual plot in plot.mkinfit
- * gmkin: New layout for plotting and fitting
- * gmkin: Only use png plots, remove SVGTipsDevice from DESCRIPTION
- * gmkin: Introduce plotting options allowing to select plotted variables
-
-2014-02-27 Johannes Ranke <jranke@uni-bremen.de> for mkin (0.9-25)
-
- * Change vignette format from Sweave to knitr
- * Split examples vignette to FOCUS_L and FOCUS_Z
- * Remove warning about constant formation fractions in mkinmod
- as it was based on a misconception
- * 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 clean startup
- * Add a starter function for the GUI: gmkin()
- * Change the format of the workspace files of gmkin so they can be
- distributed and documented in the package
- * Add gmkin workspace datasets FOCUS_2006_gmkin and FOCUS_2006_Z_gmkin
-
-2013-11-06 Johannes Ranke <jranke@uni-bremen.de> for mkin (0.9-24)
-
- * Bugfix re-enabling the fixing of any combination of initial values
- for state variables
- * 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
-
-2013-10-30 Johannes Ranke <jranke@uni-bremen.de> for mkin (0.9-23)
-
- * Backtransform fixed ODE parameters for the summary
-
-2013-10-21 Johannes Ranke <jranke@uni-bremen.de> for mkin (0.9-22)
-
- * Get rid of the optimisation step in mkinerrmin - 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
- * Fix plot.mkinfit as it passed graphical arguments like main to the solver
- * Do not use plot=TRUE in mkinfit example
- * The first successful fits in the not so simple GUI
- * Fix iteratively reweighted least squares for the case of many metabolites
- * Unify naming of initial values of state variables
- * Unify naming in dataframes of optimised and fixed parameters in the summary
- * Show the weighting method for residuals in the summary
- * Correct the output of the data in the case of manual weighting
- * Implement IRLS assuming different variances for observed variables
- * Do not use 0 values at time zero for chi2 error level calculations.
- This is the way it is done in KinGUII and it makes sense. It does
- impact the chi2 error levels in the output. Generally they seem to be
- lower for metabolites now, presumably because the mean of the observed
- values is higher
-
-Changes performed in earlier versions are documented in the subversion log
-files on R-Forge http://www.r-forge.r-project.org/scm/?group_id=615

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