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doc/source/examples/diffraction_objects_example.rst

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@@ -15,9 +15,8 @@ to create a ``DiffractionObject`` instance and analyze your diffraction data usi
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most of the other functionalities in the class.
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Additionally, you can specify the type of your scattering experiment using the ``scat_quantity`` parameter,
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the name of your diffraction object using the ``name`` parameter,
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and a ``metadata`` dictionary containing relevant information about the data. Here's an example:
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and a ``metadata`` dictionary containing relevant information about the data. Here's an example: ::
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.. code-block:: python
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import numpy as np
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from diffpy.utils.diffraction_objects import DiffractionObject
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x = np.array([0.12, 0.24, 0.31, 0.4]) # independent variable (e.g., q)
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but also all the associated information for analysis.
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2) ``DiffractionObject`` automatically populates the ``xarray`` onto ``q``, ``tth``, and ``d``-spacing.
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If you want to access your diffraction data in a specific spacing, you can do this:
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If you want to access your diffraction data in a specific spacing, you can do this: ::
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.. code-block:: python
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q = do.on_xtype("q")
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tth = do.on_xtype("tth")
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d = do.on_xtype("d")
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For example, you can use the ``scale_to`` function to rescale one diffraction object to align its intensity values
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with a second diffraction object at a (closest) specified value on a specified ``xarray``.
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This makes it easier for visualizing and comparing two intensity curves on the same plot.
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For example, to scale ``do1`` to match ``do2`` at ``tth=60``:
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For example, to scale ``do1`` to match ``do2`` at ``tth=60``: ::
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.. code-block:: python
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# Create Diffraction Objects do1 and do2
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do1 = DiffractionObject(
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xarray=np.array([10, 15, 25, 30, 60, 140]),
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do_copy = do.copy()
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6) The ``dump`` function saves the diffraction data and relevant information to a specified file.
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You can choose one of the data axis (``q``, ``tth``, or ``d``) to export, with ``q`` as the default.
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You can choose one of the data axis (``q``, ``tth``, or ``d``) to export, with ``q`` as the default. ::
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.. code-block:: python
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# Assume you have created a Diffraction Object do
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file = "diffraction_data.xy"
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do.dump(file, xtype="q")

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