diff options
| -rw-r--r-- | TODO | 11 |
1 files changed, 5 insertions, 6 deletions
@@ -3,15 +3,14 @@ TODO for version 1.0 - Complete the main package vignette named mkin to include a method description - Improve order of parameters in output - Write unit tests for mkinerrmin -- Calculate confidence intervals for more than one formation fraction using Monte Carlo simulations -- When checking for degrees of freedom for metabolites, check if their time zero value is fixed - instead of checking if the observed value is zero (usually in regulatory kinetics it is set to - zero anyway, but in the case of known impurities this may not be the case). -- For mkinerrmin calculations for metabolites, check if state.ini is fixed in order to determine - the degrees of freedom +- When checking for degrees of freedom for metabolites, check if their time + zero value (state.ini) is fixed instead of checking if the observed value is + zero (usually in regulatory kinetics it is set to zero anyway, but in the + case of known impurities this may not be the case). Nice to have: - Get starting values for formation fractions from data +- Calculate confidence intervals for more than one formation fraction using Monte Carlo simulations - Calculate confidence intervals for DT50 and DT90 values when only one parameter is involved - Calculate transformation only DT50 values (exclude pathways to sink) as |