.. DO NOT EDIT.
.. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY.
.. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE:
.. "examples/1D_simulation(crystalline)/plot_0_Wollastonite.py"
.. LINE NUMBERS ARE GIVEN BELOW.

.. only:: html

    .. note::
        :class: sphx-glr-download-link-note

        :ref:`Go to the end <sphx_glr_download_examples_1D_simulation(crystalline)_plot_0_Wollastonite.py>`
        to download the full example code

.. rst-class:: sphx-glr-example-title

.. _sphx_glr_examples_1D_simulation(crystalline)_plot_0_Wollastonite.py:


Wollastonite, ²⁹Si (I=1/2)
^^^^^^^^^^^^^^^^^^^^^^^^^^

²⁹Si (I=1/2) spinning sideband simulation.

.. GENERATED FROM PYTHON SOURCE LINES 9-13

Wollastonite is a high-temperature calcium-silicate,
:math:`\beta−\text{Ca}_3\text{Si}_3\text{O}_9`, with three distinct
:math:`^{29}\text{Si}` sites. The :math:`^{29}\text{Si}` tensor parameters
were obtained from Hansen `et al.` [#f1]_

.. GENERATED FROM PYTHON SOURCE LINES 13-22

.. code-block:: Python

    import matplotlib.pyplot as plt

    from mrsimulator import Simulator, SpinSystem, Site
    from mrsimulator import signal_processor as sp
    from mrsimulator.method.lib import BlochDecaySpectrum
    from mrsimulator.spin_system.tensors import SymmetricTensor
    from mrsimulator.method import SpectralDimension









.. GENERATED FROM PYTHON SOURCE LINES 24-26

Create sites and spin systems. We create three single-site spin systems for
better performance.

.. GENERATED FROM PYTHON SOURCE LINES 26-48

.. code-block:: Python

    Si29_1 = Site(
        isotope="29Si",
        isotropic_chemical_shift=-89.0,  # in ppm
        shielding_symmetric=SymmetricTensor(zeta=59.8, eta=0.62),  # zeta in ppm
    )
    Si29_2 = Site(
        isotope="29Si",
        isotropic_chemical_shift=-89.5,  # in ppm
        shielding_symmetric=SymmetricTensor(zeta=52.1, eta=0.68),  # zeta in ppm
    )
    Si29_3 = Site(
        isotope="29Si",
        isotropic_chemical_shift=-87.8,  # in ppm
        shielding_symmetric=SymmetricTensor(zeta=69.4, eta=0.60),  # zeta in ppm
    )

    spin_systems = [
        SpinSystem(sites=[Si29_1]),
        SpinSystem(sites=[Si29_2]),
        SpinSystem(sites=[Si29_3]),
    ]








.. GENERATED FROM PYTHON SOURCE LINES 49-50

Create a Bloch decay spectrum method.

.. GENERATED FROM PYTHON SOURCE LINES 50-69

.. code-block:: Python

    method = BlochDecaySpectrum(
        channels=["29Si"],
        magnetic_flux_density=14.1,  # in T
        rotor_frequency=1500,  # in Hz
        spectral_dimensions=[
            SpectralDimension(
                count=2048,
                spectral_width=25000,  # in Hz
                reference_offset=-10000,  # in Hz
                label=r"$^{29}$Si resonances",
            )
        ],
    )

    # A graphical representation of the method object.
    plt.figure(figsize=(4, 2))
    method.plot()
    plt.show()




.. image-sg:: /examples/1D_simulation(crystalline)/images/sphx_glr_plot_0_Wollastonite_001.png
   :alt: BlochDecaySpectrum
   :srcset: /examples/1D_simulation(crystalline)/images/sphx_glr_plot_0_Wollastonite_001.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 70-71

Create the Simulator object and add method and spin system objects, and run.

.. GENERATED FROM PYTHON SOURCE LINES 71-73

.. code-block:: Python

    sim = Simulator(spin_systems=spin_systems, methods=[method])








.. GENERATED FROM PYTHON SOURCE LINES 74-75

Simulate the spectrum.

.. GENERATED FROM PYTHON SOURCE LINES 75-85

.. code-block:: Python

    sim.run()

    # The plot of the simulation before signal processing.
    plt.figure(figsize=(4.25, 3.0))
    ax = plt.subplot(projection="csdm")
    ax.plot(sim.methods[0].simulation.real, color="black", linewidth=1)
    ax.invert_xaxis()
    plt.tight_layout()
    plt.show()




.. image-sg:: /examples/1D_simulation(crystalline)/images/sphx_glr_plot_0_Wollastonite_002.png
   :alt: plot 0 Wollastonite
   :srcset: /examples/1D_simulation(crystalline)/images/sphx_glr_plot_0_Wollastonite_002.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 86-87

Add post-simulation signal processing.

.. GENERATED FROM PYTHON SOURCE LINES 87-100

.. code-block:: Python

    processor = sp.SignalProcessor(
        operations=[sp.IFFT(), sp.apodization.Exponential(FWHM="70 Hz"), sp.FFT()]
    )
    processed_dataset = processor.apply_operations(dataset=sim.methods[0].simulation)

    # The plot of the simulation after signal processing.
    plt.figure(figsize=(4.25, 3.0))
    ax = plt.subplot(projection="csdm")
    ax.plot(processed_dataset.real, color="black", linewidth=1)
    ax.invert_xaxis()
    plt.tight_layout()
    plt.show()




.. image-sg:: /examples/1D_simulation(crystalline)/images/sphx_glr_plot_0_Wollastonite_003.png
   :alt: plot 0 Wollastonite
   :srcset: /examples/1D_simulation(crystalline)/images/sphx_glr_plot_0_Wollastonite_003.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 101-106

.. [#f1] Hansen, M. R., Jakobsen, H. J., Skibsted, J., :math:`^{29}\text{Si}`
      Chemical Shift Anisotropies in Calcium Silicates from High-Field
      :math:`^{29}\text{Si}` MAS NMR Spectroscopy, Inorg. Chem. 2003,
      **42**, *7*, 2368-2377.
      `DOI: 10.1021/ic020647f <https://doi.org/10.1021/ic020647f>`_


.. rst-class:: sphx-glr-timing

   **Total running time of the script:** (0 minutes 1.133 seconds)


.. _sphx_glr_download_examples_1D_simulation(crystalline)_plot_0_Wollastonite.py:

.. only:: html

  .. container:: sphx-glr-footer sphx-glr-footer-example

    .. container:: sphx-glr-download sphx-glr-download-jupyter

      :download:`Download Jupyter notebook: plot_0_Wollastonite.ipynb <plot_0_Wollastonite.ipynb>`

    .. container:: sphx-glr-download sphx-glr-download-python

      :download:`Download Python source code: plot_0_Wollastonite.py <plot_0_Wollastonite.py>`


.. only:: html

 .. rst-class:: sphx-glr-signature

    `Gallery generated by Sphinx-Gallery <https://sphinx-gallery.github.io>`_