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| author | Johannes Ranke <jranke@uni-bremen.de> | 2014-07-23 08:34:59 +0200 |
|---|---|---|
| committer | Johannes Ranke <jranke@uni-bremen.de> | 2014-07-23 08:34:59 +0200 |
| commit | 4c6f29fe2a3ece5a85160b891c89ce0f55299c11 (patch) | |
| tree | 95d221aef9349dbb5c068c6055eb073cdfdca59b /NEWS.md | |
| parent | 651fe9a90eb814a9533309d938c9e830c2ee4b8c (diff) | |
Parallel metabolite formation with formation fractions in mkinerrmin
Diffstat (limited to 'NEWS.md')
| -rw-r--r-- | NEWS.md | 4 |
1 files changed, 4 insertions, 0 deletions
@@ -2,6 +2,8 @@ ## NEW FEATURES +- The number of degrees of freedom is difficult to define in the case of ilr transformation of formation fractions. Now for each source compartment the number of ilr parameters (=number of optimised parameters) is divided by the number of pathways to metabolites (=number of affected data series) which leads to fractional degrees of freedom in some cases. + - The default for the initial value for the first state value is now taken from the mean of the observations at time zero, if available. - The kinetic model can alternatively be specified with a shorthand name for parent only degradation models, e.g. `SFO`, or `DFOP`. @@ -14,6 +16,8 @@ ## BUG FIXES +- In the determination of the degrees of freedom in `mkinerrmin`, formation fractions were accounted for multiple times in the case of parallel formation of metabolites. See the new feature described above for the solution. + - `transform_rates=FALSE` in `mkinfit` now also works for FOMC and HS models. - Initial values for formation fractions were not set in all cases. |