From 58e084b89512f797f071db52939f6bb52d3e8fa5 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 19 Aug 2014 18:15:24 +0200 Subject: Small reformulations --- TODO | 11 +++++------ 1 file changed, 5 insertions(+), 6 deletions(-) diff --git a/TODO b/TODO index 4b73063f..92a91069 100644 --- a/TODO +++ b/TODO @@ -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 -- cgit v1.2.1