diff options
| -rw-r--r-- | ChangeLog | 17 | ||||
| -rw-r--r-- | DESCRIPTION | 4 | ||||
| -rw-r--r-- | R/mkinfit.R | 4 |
3 files changed, 8 insertions, 17 deletions
@@ -1,29 +1,21 @@ +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
-
-2013-10-17 Johannes Ranke <jranke@uni-bremen.de> for mkin (0.9-22)
-
* 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
-
-2013-10-16 Johannes Ranke<jranke@uni-bremen.de> for mkin (0.9-22)
-
* Unify naming of initial values of state variables
* Unify naming in dataframes of optimised and fixed parameters in the summary
-
-2013-10-10 Johannes Ranke<jranke@uni-bremen.de> for mkin (0.9-22)
-
* 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
-
-2013-10-09 Johannes Ranke for version (0.9-22)
-
* 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
@@ -32,4 +24,3 @@ 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
-vim: set noexpandtab ts=2 sw=2:
diff --git a/DESCRIPTION b/DESCRIPTION index 9e00357..57c3421 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -2,8 +2,8 @@ Package: mkin Type: Package Title: Routines for fitting kinetic models with one or more state variables to chemical degradation data -Version: 0.9-22 -Date: 2013-10-21 +Version: 0.9-23 +Date: 2013-10-30 Author: Johannes Ranke, with contributions from Katrin Lindenberger, René Lehmann Maintainer: Johannes Ranke <jranke@uni-bremen.de> Description: Calculation routines based on the FOCUS Kinetics Report (2006). diff --git a/R/mkinfit.R b/R/mkinfit.R index b0292bb..2be5515 100644 --- a/R/mkinfit.R +++ b/R/mkinfit.R @@ -247,8 +247,8 @@ mkinfit <- function(mkinmod, observed, rep("deparm", length(parms.optim)))
fit$start$transformed = c(state.ini.optim, parms.optim)
- fit$fixed <- data.frame(
- value = c(state.ini.fixed, parms.fixed))
+ fit$fixed <- data.frame(value = c(state.ini.fixed,
+ backtransform_odeparms(parms.fixed, mod_vars)))
fit$fixed$type = c(rep("state", length(state.ini.fixed)),
rep("deparm", length(parms.fixed)))
|