From 5a743b1850528241333865d09030c21e039f9961 Mon Sep 17 00:00:00 2001 From: Sven Sahle Date: Wed, 22 May 2024 15:10:41 +0200 Subject: [PATCH] Update index.html Fix description of scaling --- .../Experimental_Data/index.html | 24 ++++++++++++------- 1 file changed, 16 insertions(+), 8 deletions(-) diff --git a/Support/User_Manual/Tasks/Parameter_Estimation/Experimental_Data/index.html b/Support/User_Manual/Tasks/Parameter_Estimation/Experimental_Data/index.html index f20ca84f5..478223415 100644 --- a/Support/User_Manual/Tasks/Parameter_Estimation/Experimental_Data/index.html +++ b/Support/User_Manual/Tasks/Parameter_Estimation/Experimental_Data/index.html @@ -9,19 +9,27 @@

Before you can execute a parameter estimation task you need to specify the dataset which COPASI will use to fit the - parameters you have specified. Each experiment of your dataset contributes to the objective function with the + parameters you have specified. + The data can provided in any number of data files that can each contain one or more experiments, each experiment + containing one or several data columns. + All data points in the columns of all experiments contribute to the objective function with the following weighted sum of squares:

$$E(P)=\sum_{i,j}\omega_{j}\cdot(x_{i,j}-y_{i,j}(P))^{2}$$

Where $P$ is the currently tested parameter set, $x_{i,j}$ is a point in the dataset, and $y_{i,j}(P)$ the corresponding - simulated value. The indices $i$ and $j$ denote rows and columns in the dataset. The weight for each data column is given - by $\omega_{j}$. COPASI provides 4 methods shown in the table below - to calculate the weights for you. After applying the method chosen COPASI scales the weights so that for each - experiment the maximal occurring weight is $1$. In case that the weights calculated are not satisfactory you are able - to manually override them individually. To overwrite that behavior you can choose to check the - Normalize Weights per Experiment option.

+ simulated value. The indices $i$ and $j$ denote rows and columns in the dataset. The weight $\omega_{j}$ is specified + for each data column and can either be provided by the user or calculated automatically by COPASI. In the user interface, + weights that are calculated by COPASI are displayed in brackets. + The weights are intended to adjust the contributions of the different data columns to the overall objective function so + that ideally data points from each column contribute equally. + For the calculation of the weights COPASI offers three different methods that are based on different assumptions about how + residual error scales with the data values. + Depending on whether the Normalize Weights per Experiment Checkbox is ticked, the weights are scaled so that the largest + weight for any data column in the complete set is $1$, or that the largest weight in each single experiment is $1$. + + To manually adjust the weight values you can simple override them by entering new values in the table.

@@ -129,4 +137,4 @@ bottom of the dialog by selecting the method from the drop down list. For an explanation of the individual methods, please consult the methods section.

- \ No newline at end of file +