You're reading the documentation for a development version. For the latest released version, please have a look at v0.8.16.

Experiments

CADET-Match supports one or more experiments with one or more components. The basic structure is shown below.

{
"experiments": [
    {

    },
    {

    }
],
}

The csv file is used for all scores unless a specific feature has its own csv file. The csv file needs to have two columns. The first is the time in seconds and the second is the concentration in mols/m^3.

Output path is the path to where the output is stored in CADET. If a list is given instead of a single path then all the outputs specified are added together. This simplifies dealing with fractionation data where often a sum signal and fractionation data is available.

Key	Values	Default	Required	Description
name	String	None	Yes	Name of experiment, each name must be unique
csv	Path	None	Yes	This is the path to the csv file to match against.
HDF5	Path	None	Yes	Path to a runnable HDF5 simulation
output_path	Path or List	None	Yes	Path or list of paths to the output data to match against
scores	List	None	Yes	List of scores to use

"experiments": [
        {
                "name": "dextran1",
                "csv": "dextran1.csv",
                "HDF5": "dextran1.h5",
                "output_path": "/output/solution/unit_002/SOLUTION_OUTLET_COMP_000",
                "scores": [

                ]
        },
        {
                "name": "dextran2",
                "csv": "dextran2.csv",
                "HDF5": "dextran2.h5",
                "output_path": "/output/solution/unit_002/SOLUTION_OUTLET_COMP_000",
                "scores": [

                ]
        }
        ],