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fix #524
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FFroehlich authored and dweindl committed Mar 10, 2023
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18 changes: 9 additions & 9 deletions doc/documentation_data_format.rst
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- An observable file specifying the observation model [TSV]

- A parameter file specifying optimization parameters and related information
- A parameter file specifying estimateable parameters and related information
[TSV]

- (optional) A simulation file, which has the same format as the measurement
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Extensions of this format (e.g. additional columns in the measurement table)
are possible and intended. However, while those columns may provide extra
information for example for plotting, downstream analysis, or for more
efficient parameter estimation, they should not affect the optimization
efficient parameter estimation, they should not affect the estimation
problem as such.

**General remarks**
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Different lines for the same ``observableId`` may specify different
parameters. This may be used to account for condition-specific or
batch-specific parameters. This will translate into an extended optimization
batch-specific parameters. This will translate into an extended estimation
parameter vector.

All placeholders defined in the observation model must be overwritten here.
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- ``lowerBound`` [NUMERIC]

Lower bound of the parameter used for optimization.
Lower bound of the parameter used for estimation.
Optional, if ``estimate==0``.
Must be provided in linear space, independent of ``parameterScale``.

- ``upperBound`` [NUMERIC]

Upper bound of the parameter used for optimization.
Upper bound of the parameter used for estimation.
Optional, if ``estimate==0``.
Must be provided in linear space, independent of ``parameterScale``.

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- ``initializationPriorType`` [STRING, OPTIONAL]

Prior types used for sampling of initial points for optimization. Sampled
Prior types used for sampling of initial points for estimation. Sampled
points are clipped to lie inside the parameter boundaries specified by
``lowerBound`` and ``upperBound``. Defaults to ``parameterScaleUniform``.

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- ``initializationPriorParameters`` [STRING, OPTIONAL]

Prior parameters used for sampling of initial points for optimization,
Prior parameters used for sampling of initial points for estimation,
separated by a semicolon. Defaults to ``lowerBound;upperBound``.
The parameters are expected to be in linear scale except for the
``parameterScale`` priors, where the prior parameters are expected to be
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- ``objectivePriorType`` [STRING, OPTIONAL]

Prior types used for the objective function during optimization or sampling.
Prior types used for the objective function during estimation.
For possible values, see ``initializationPriorType``.

- ``objectivePriorParameters`` [STRING, OPTIONAL]

Prior parameters used for the objective function during optimization.
Prior parameters used for the objective function during estimation.
For more detailed documentation, see ``initializationPriorParameters``.


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