From 651fe9a90eb814a9533309d938c9e830c2ee4b8c Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 22 Jul 2014 14:55:41 +0200 Subject: Formatting TODO --- TODO | 1 + 1 file changed, 1 insertion(+) (limited to 'TODO') diff --git a/TODO b/TODO index af4ff82d..83524220 100644 --- a/TODO +++ b/TODO @@ -2,6 +2,7 @@ TODO for version 1.0 - Think about what a user would expect from version 1.0 - Complete the main package vignette named mkin to include a method description - Improve formatting of differential equations in the summary +- Improve order of parameters in output Nice to have: - Calculate confidence intervals for DT50 and DT90 values when only one -- cgit v1.2.1 From 4c6f29fe2a3ece5a85160b891c89ce0f55299c11 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Wed, 23 Jul 2014 08:34:59 +0200 Subject: Parallel metabolite formation with formation fractions in mkinerrmin --- TODO | 1 + 1 file changed, 1 insertion(+) (limited to 'TODO') diff --git a/TODO b/TODO index 83524220..a9eb8b70 100644 --- a/TODO +++ b/TODO @@ -3,6 +3,7 @@ TODO for version 1.0 - Complete the main package vignette named mkin to include a method description - Improve formatting of differential equations in the summary - Improve order of parameters in output +- Write unit tests for mkinerrmin Nice to have: - Calculate confidence intervals for DT50 and DT90 values when only one -- cgit v1.2.1 From bf4200964f270db9fb29c333e3c694e299f9d78d Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 31 Jul 2014 11:16:48 +0200 Subject: More to do, gathered during the software validation checks --- TODO | 5 +++++ 1 file changed, 5 insertions(+) (limited to 'TODO') diff --git a/TODO b/TODO index a9eb8b70..a1afc933 100644 --- a/TODO +++ b/TODO @@ -4,8 +4,13 @@ TODO for version 1.0 - Improve formatting of differential equations in the summary - 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). Nice to have: +- Get starting values for formation fractions from data - 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 From ea171bdf4772824a7d61d3ac5189c0bbc5bc2900 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 31 Jul 2014 11:16:48 +0200 Subject: More to do, gathered during the software validation checks --- TODO | 2 ++ 1 file changed, 2 insertions(+) (limited to 'TODO') diff --git a/TODO b/TODO index a1afc933..2617bf2c 100644 --- a/TODO +++ b/TODO @@ -8,6 +8,8 @@ TODO for version 1.0 - 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 Nice to have: - Get starting values for formation fractions from data -- cgit v1.2.1 From 37a252cb44fed78c4f7a00a2f7874f1c47456468 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 19 Aug 2014 17:55:06 +0200 Subject: Improve formatting of differential equations in output Rebuild of FOCUS_Z vignette with improved formatting --- TODO | 1 - 1 file changed, 1 deletion(-) (limited to 'TODO') diff --git a/TODO b/TODO index 2617bf2c..4b73063f 100644 --- a/TODO +++ b/TODO @@ -1,7 +1,6 @@ TODO for version 1.0 - Think about what a user would expect from version 1.0 - Complete the main package vignette named mkin to include a method description -- Improve formatting of differential equations in the summary - Improve order of parameters in output - Write unit tests for mkinerrmin - Calculate confidence intervals for more than one formation fraction using Monte Carlo simulations -- cgit v1.2.1 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(-) (limited to 'TODO') 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 From f30472ecd2afea6bd2153b8ad2bb2f663f3a2742 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Mon, 25 Aug 2014 10:39:40 +0200 Subject: Bug fix and unit tests for mkinerrmin See NEWS.md for details --- TODO | 5 ----- 1 file changed, 5 deletions(-) (limited to 'TODO') diff --git a/TODO b/TODO index 92a91069..f979d13a 100644 --- a/TODO +++ b/TODO @@ -2,11 +2,6 @@ TODO for version 1.0 - Think about what a user would expect from 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 -- 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 -- cgit v1.2.1