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| author | Johannes Ranke <jranke@uni-bremen.de> | 2016-06-27 13:21:39 +0200 |
|---|---|---|
| committer | Johannes Ranke <jranke@uni-bremen.de> | 2016-06-27 13:38:38 +0200 |
| commit | 4b0b5346a9f026c5a19d452e4649326fe56d464c (patch) | |
| tree | 2795eb7eaf6f68dfd6fbbcb8a3cf92224cf81f0d /NEWS.md | |
| parent | b14fe21e176f523e800793102fb5634e468b3165 (diff) | |
Improve listing of weights in output, update NEWS
Diffstat (limited to 'NEWS.md')
| -rw-r--r-- | NEWS.md | 8 |
1 files changed, 7 insertions, 1 deletions
@@ -8,6 +8,8 @@ - `plot.mkinfit`: Add the possibility to show fits (and residual plots if requested) separately for the observed variables +- `plot.mkinfit`: Add the possibility to show the chi2 error levels in the plot, similar to the way they are shown in `plot.mmkin` + - The main vignette `mkin` was converted to R markdown and updated - The function `add_err` was added to the package, making it easy to generate simulated data using an error model based on the normal distribution @@ -22,13 +24,17 @@ - A test has been added to containing a corresponding edge case to check that the warnings are correctly issued and the fit does not terminate. +- `plot.mmkin`: Round the chi2 error value to three significant digits, instead of two decimal digits. + +- `mkinfit`: Return the `err` values used on weighted fits as a column named `err`. Also include these inverse weights when the column `value` in the observed data is used, which is returned as `observed` in the data component of the mkinfit object. + ### Bug fixes - `endpoints`: When the name of a substance degrading to a metabolite (e.g. a parent compound) used in the model formulation ended in the letter `f`, some rate parameters could be listed as formation fractions with mixed up names. These would also appear in the summary. - `mkinfit`: Check for all observed variables when checking if the user tried to fix formation fractions when fitting them using ilr transformation. -- `plot.mmkin`: Removed some leftover code that set the plot margins wrongly in the case of a single fit to be plotted, so the main title was misplaced. +- `plot.mmkin`: Set the plot margins correctly, also in the case of a single fit to be plotted, so the main title is placed in a reasonable way. - `plot.mkinfit`: Correct default values for `col_obs`, `pch_obs` and `lty_obs` for the case that `obs_vars` is specified. |