From 4b0b5346a9f026c5a19d452e4649326fe56d464c Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Mon, 27 Jun 2016 13:21:39 +0200 Subject: Improve listing of weights in output, update NEWS --- NEWS.md | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) (limited to 'NEWS.md') diff --git a/NEWS.md b/NEWS.md index 9148371d..a01bd02d 100644 --- a/NEWS.md +++ b/NEWS.md @@ -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. -- cgit v1.2.1