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docs/source/tutorial.rst

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@@ -150,14 +150,14 @@ You should see the main window with empty table panels.
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:width: 100%
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:align: center
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PEtab-GUI on first launch - Data Tables tab showing empty tables ready for a new project
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PEtab-GUI on first launch - Data Tables tab showing empty tables ready for a new project.
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.. figure:: _static/empty_GUI_2.png
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:alt: PEtab-GUI Main Window on First Launch - SBML Model View
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:width: 100%
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:align: center
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PEtab-GUI on first launch - SBML Model tab with empty editors
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PEtab-GUI on first launch - SBML Model tab with empty editors.
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Step 2: Create the SBML Model
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -189,7 +189,7 @@ We'll create a simple model using the Antimony editor.
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:width: 100%
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:align: center
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Creating a simple conversion model in Antimony (right panel) and converting it to SBML (left panel)
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Creating a simple conversion model in Antimony (right panel) and converting it to SBML (left panel).
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**What you should see**: The SBML editor should now contain XML code with ``<listOfSpecies>``, ``<listOfParameters>`` and ``<listOfReactions>`` elements.
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The Info panel at the bottom might show a message confirming the conversion.
@@ -207,7 +207,7 @@ Now we'll import experimental measurements.
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**Option B: Creating the file yourself**
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Create a file named ``simple_conversion_measurements.tsv`` with the following content (a tab-separated matrix format):
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Create a file named ``simple_conversion_measurements.tsv`` with the following content (a tab-separated values format):
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.. code-block:: text
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@@ -223,7 +223,7 @@ Create a file named ``simple_conversion_measurements.tsv`` with the following co
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18 1.6 8.2
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20 1.3 8.5
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Then drag and drop this file onto the **Measurement Table** panel. When prompted, enter ``SimulationCondition``.
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Then drag and drop this file onto the **Measurement Table** panel. When prompted, enter ``cond_1`` for `Simulation Condition`.
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You should now see the measurements imported, the condition and observables created, but some things are marked red.
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This is the petab linter telling you that some required fields are missing, namely the observable formula, which the GUI
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can not set automatically. We will fix this in the next steps.
@@ -233,7 +233,7 @@ can not set automatically. We will fix this in the next steps.
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:width: 100%
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:align: center
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Dialog when uploading data matrix asking for SimulationConditionId
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Dialog when uploading data matrix asking for SimulationConditionId.
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**What you should see**: The Measurement Table should now contain 20 rows with your measurement data (10 time points for each of the two species).
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The Info panel will likely show messages about auto-generated observables and conditions.
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:width: 100%
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:align: center
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Measurement Table after importing data - 10 time points with measurements for both species A and B
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Measurement Table after importing data - 10 time points with measurements for both species A and B.
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Step 4: Define the Observable Formulas
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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:width: 100%
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:align: center
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Observable Table with formulas for both species A and B, each with noise standard deviation set to 0.5
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Observable Table with formulas for both species A and B, each with noise standard deviation set to 0.5.
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**What you should see**: The Info panel might show validation messages confirming the observables are now properly defined.
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1. Switch to the **Parameter Table** panel
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2. Click the **"Add Row"** button in the toolbar (or use :menuselection:`&Edit --> Add Row`) or just add it directly
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by double clicking in the first empty row.
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3. Start filling in `k_`, you should automatically be prompted to select `k_conversion` from a dropdown of model parameters.
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4. The `nominalValue` will be taken from your SBML model, the `parameterScale` should be set to `log10` by default and `estimate` should set to 1.
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5. You only need to fill out the lower and upper bounds now. Fill in `0.001` and `100` respectively.
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3. Start filling in ``k_``, you should automatically be prompted to select ``k_conversion`` from a dropdown of model parameters.
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4. The `nominalValue` will be taken from your SBML model, the `parameterScale` should be set to ``log10`` by default and `estimate` should set to ``1``.
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5. You only need to fill out the lower and upper bounds now. Fill in ``0.001`` and ``100`` respectively.
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.. note::
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:width: 100%
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:align: center
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Parameter Table configured for estimating `k_conversion` with bounds [0.001, 100] on log10 scale
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Parameter Table configured for estimating `k_conversion` with bounds [0.001, 100] on log10 scale.
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**What you should see**: One row in the Parameter Table with all columns filled. Nothing should be colored red anymore.
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:width: 100%
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Measurement Plot showing the experimental data - time points vs. measured values for both species A (decreasing) and species B (increasing)
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Measurement Plot showing the experimental data - time points vs. measured values for both species A (decreasing) and species B (increasing).
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**Try this**: In the :guilabel:`Measurement Table` select one or multiple rows. The corresponding point(s) in the
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:guilabel:`Data Plot` will be highlighted. This linking lets you explore and validate your data early on.
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:width: 100%
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:align: center
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Saving your PEtab problem - choose folder format for easy editing or COMBINE archive for sharing
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Saving your PEtab problem - choose folder format for easy editing or COMBINE archive for sharing.
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Congratulations!
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