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generated models based on updated data model
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docs/model.md

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@@ -26,8 +26,8 @@ This page provides comprehensive information about the structure and components
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baseunit(BaseUnit)
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eqvariable(EqVariable)
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eqparameter(EqParameter)
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datatypes(DataTypes)
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equationtype(EquationType)
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datatypes(DataTypes)
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unittype(UnitType)
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enzymemldocument(EnzymeMLDocument) --> creator(Creator)
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enzymemldocument(EnzymeMLDocument) --> vessel(Vessel)
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enzymemldocument(EnzymeMLDocument) --> reaction(Reaction)
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enzymemldocument(EnzymeMLDocument) --> measurement(Measurement)
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enzymemldocument(EnzymeMLDocument) --> equation(Equation)
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enzymemldocument(EnzymeMLDocument) --> parameter(Parameter)
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vessel(Vessel) --> unitdefinition(UnitDefinition)
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reaction(Reaction) --> equation(Equation)
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reaction(Reaction) --> reactionelement(ReactionElement)
@@ -48,7 +47,6 @@ This page provides comprehensive information about the structure and components
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parameter(Parameter) --> unitdefinition(UnitDefinition)
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measurement(Measurement) --> measurementdata(MeasurementData)
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measurement(Measurement) --> unitdefinition(UnitDefinition)
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measurementdata(MeasurementData) --> datatypes(DataTypes)
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measurementdata(MeasurementData) --> unitdefinition(UnitDefinition)
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measurementdata(MeasurementData) --> unitdefinition(UnitDefinition)
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unitdefinition(UnitDefinition) --> baseunit(BaseUnit)
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click baseunit "#baseunit" "Go to BaseUnit"
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click eqvariable "#eqvariable" "Go to EqVariable"
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click eqparameter "#eqparameter" "Go to EqParameter"
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click datatypes "#datatypes" "Go to DataTypes"
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click equationtype "#equationtype" "Go to EquationType"
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click datatypes "#datatypes" "Go to DataTypes"
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click unittype "#unittype" "Go to UnitType"
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```
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@@ -85,7 +83,7 @@ This page provides comprehensive information about the structure and components
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### EnzymeMLDocument
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This is the root object that composes all objects found in an EnzymeML document. It also includes general metadata such as the name of the document, when it was created/modified and references to publications, databases and arbitrary links to the web.
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This is the root object that composes all objects found in an EnzymeML document. It also includes general metadata such as the name of the document, when it was created/modified, and references to publications, databases, and arbitrary links to the web.
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__name__* `string`
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__references__ `list[string]`
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- Contains references to publications, databases and arbitrary links to the web.
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- Contains references to publications, databases, and arbitrary links to the web.
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__created__ `string`
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__reactions__ [`list[Reaction]`](#reaction)
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- Dictionary mapping from reaction IDs to reaction describing objects.
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- Dictionary mapping from reaction IDs to reaction-describing objects.
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__measurements__ [`list[Measurement]`](#measurement)
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- Contains ordinary differential equations that describe the kinetic model.
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__parameters__ [`list[Parameter]`](#parameter)
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- Contains parameters that are part of the kinetic model.
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------
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### Creator
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------
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### Protein
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This objects describes the proteins that were used or formed over the course of the experiment.
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This object describes the proteins that were used or formed throughout the experiment.
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__id__* `string`
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__references__ `list[string]`
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- Array of references to publications, database entries etc. that describe the protein.
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- Array of references to publications, database entries, etc. that describe the protein.
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------
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- Unique identifier of the complex.
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__name__* `string`
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__constant__* `boolean`
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- `Default`: false
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__participants__ `list[string]`
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- Array of IDs the complex contains
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------
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### SmallMolecule
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This objects describes the reactants that were used or produced in the course of the experiment.
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This object describes the reactants that were used or produced in the course of the experiment.
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__id__* `string`
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- Canonical Simplified Molecular-Input Line-Entry System (SMILES) encoding of the reactant.
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__inchi__ `string`
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- International Chemical Identifier (InChI) encoding of the reactant.
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__inchikey__ `string`
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- Hashed International Chemical Identifier (InChIKey) encoding of the reactant.
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__references__ `list[string]`
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- Array of references to publications, database entries etc. that describe the reactant.
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- Array of references to publications, database entries, etc. that describe the reactant.
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------
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- Name of the measurement
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__species__ [`list[MeasurementData]`](#measurementdata)
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__species_data__ [`list[MeasurementData]`](#measurementdata)
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- Species of the measurement.
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- Measurement data of all species that were part of the measurement. A species can refer to a protein, complex, or small molecule.
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__group_id__ `string`
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- User-defined group ID to signalize relationships between measurements.
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- User-defined group ID to signal relationships between measurements.
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__ph__ `float`
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### MeasurementData
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This object describes a single entity of a measurement, which corresponds to one species. It also holds replicates which contain time course data.
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This object describes a single entity of a measurement, which corresponds to one species. It also holds replicates that contain time course data.
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__species_id__* `string`
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- Initial concentration of the measurement data. This must be the same as the first data point in the
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__data_type__* [`DataTypes`](#datatypes)
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- Type of data that was measured (e.g. concentration)
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__data_unit__* [`UnitDefinition`](#unitdefinition)
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__conc_unit__* [`UnitDefinition`](#unitdefinition)
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- SI unit of the data that was measured.
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__time_unit__* [`UnitDefinition`](#unitdefinition)
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__data__* `list[float]`
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- Time unit of the replicate.
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- Data that was measured.
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__time__* `list[float]`
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- Time steps of the replicate.
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__data__* `list[float]`
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__time_unit__* [`UnitDefinition`](#unitdefinition)
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- Data that was measured.
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- Time unit of the replicate.
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__data_type__* `string`
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- Type of data that was measured (e.g. concentration)
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__prep_conc__ `float`
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- Concentration of the reactant before the measurement. This field should be used for specifying the prepared concentration of a species in the reaction mix. Not to be confused with init_conc, specifying the concentration at the first data point from the
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__is_calculated__* `boolean`
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__is_simulated__* `boolean`
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- Whether or not the data has been generated by simulation.
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## Enumerations
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### DataTypes
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| Alias | Value |
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|-------|-------|
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| `ABSORPTION` | abs |
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| `BIOMASS` | biomass |
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| `CONCENTRATION` | conc |
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| `CONVERSION` | conversion |
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| `FEED` | feed |
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| `PEAK_AREA` | peak-area |
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### EquationType
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| Alias | Value |
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| `ODE` | ode |
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| `RATE_LAW` | rateLaw |
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### DataTypes
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| Alias | Value |
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|-------|-------|
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| `ABSORBANCE` | http://purl.allotrope.org/ontologies/quality#AFQ_0000061 |
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| `CONCENTRATION` | http://purl.obolibrary.org/obo/PATO_0000033 |
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| `CONVERSION` | http://purl.allotrope.org/ontologies/quality#AFQ_0000226 |
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| `FLUORESCENCE` | http://purl.obolibrary.org/obo/PATO_0000018 |
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| `PEAK_AREA` | http://purl.allotrope.org/ontologies/result#AFR_0001073 |
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| `TRANSMITTANCE` | http://purl.allotrope.org/ontologies/result#AFR_0002261 |
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### UnitType
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| Alias | Value |

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