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ExperimentsΒΆ

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": [

                ]
        }
        ],