Experimental data

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Experimental dataset must be the result of time course expressed as exact or percentage values of substance concentrations and may be comprised of several files each including possibly multiple experiments.

 

Diagram parameter estimation can be perform until the experimental data has been set. When you select the tab "e;Experimental data"e; of pane with optimization parameters  you'll see the table which on default contains the one optimization experiment. To define this one you can fill in the following fields.

· Diagram experiment . One of the diagram experiments can be selected in this field. The estimation of diagram parameters will be perform subject to the experiment changes. If this field isn't fill the estimation will be done for the diagram without changes.
· Experimental data . This field is required for filling. Here you should select the name of a file with fac extention including time course of exact or percentage values of substance concentration. Below you can find the example of such file contents. All experimental data files must be stored in the data_resources\experiments folder.
· Data entity . This field should be fill subject to the entity of experimental data contained in the file selected in the experimental data field. If these data are exact values you'll select "e;Exact concentration"e; in the field, otherwise you'll select "e;Percentage data"e;.

 

To add a new optimization experiment press  the bottom with symbol plus on it.

To remove some experiments select them and press bottom with symbol minus on it.

 

Example of experimental data file contents

 

ID                        Diagram ID

OS        

PLATFORM        

TITLE                Experimental data title

DESCRIPTION        Experimental data description..

SAMPLES

#1        time; Float; NONE; v1

#2        Substance ID; Float; NONE; v2

PROPERTIES

DATA

0        0.0        0.01

1        50.0        0.36

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