.. DO NOT EDIT.
.. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY.
.. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE:
.. "examples/2D_simulation(crystalline)/plot_7_QSSB_Rb2SO4.py"
.. LINE NUMBERS ARE GIVEN BELOW.

.. only:: html

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

        :ref:`Go to the end <sphx_glr_download_examples_2D_simulation(crystalline)_plot_7_QSSB_Rb2SO4.py>`
        to download the full example code

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

.. _sphx_glr_examples_2D_simulation(crystalline)_plot_7_QSSB_Rb2SO4.py:


Rb₂SO₄, ⁸⁷Rb (I=3/2) QMAT
^^^^^^^^^^^^^^^^^^^^^^^^^

⁸⁷Rb (I=3/2) Quadrupolar Magic-angle turning (QMAT)
simulation.

.. GENERATED FROM PYTHON SOURCE LINES 10-13

The following is a simulation of the QMAT spectrum of :math:`\text{Rb}_2\text{SiO}_4`.
The 2D QMAT spectrum is a correlation of finite speed MAS to an infinite speed MAS
spectrum. The parameters for the simulation are obtained from Walder `et al.` [#f1]_.

.. GENERATED FROM PYTHON SOURCE LINES 13-21

.. code-block:: Python

    import matplotlib.pyplot as plt

    from mrsimulator import Simulator, SpinSystem, Site
    from mrsimulator.method.lib import SSB2D
    from mrsimulator.spin_system.tensors import SymmetricTensor
    from mrsimulator.method import SpectralDimension









.. GENERATED FROM PYTHON SOURCE LINES 23-24

Generate the site and spin system objects.

.. GENERATED FROM PYTHON SOURCE LINES 24-38

.. code-block:: Python

    sites = [
        Site(
            isotope="87Rb",
            isotropic_chemical_shift=16,  # in ppm
            quadrupolar=SymmetricTensor(Cq=5.3e6, eta=0.1),  # Cq in Hz
        ),
        Site(
            isotope="87Rb",
            isotropic_chemical_shift=40,  # in ppm
            quadrupolar=SymmetricTensor(Cq=2.6e6, eta=1.0),  # Cq in Hz
        ),
    ]
    spin_systems = [SpinSystem(sites=[s]) for s in sites]








.. GENERATED FROM PYTHON SOURCE LINES 39-44

Use the ``SSB2D`` method to simulate a PASS, MAT, QPASS, QMAT, or any equivalent
sideband separation spectrum. Here, we use the method to generate a QMAT spectrum.
The QMAT method is created from the ``SSB2D`` method in the same as a PASS or MAT
method. The difference is that the observed channel is a half-integer quadrupolar
spin instead of a spin I=1/2.

.. GENERATED FROM PYTHON SOURCE LINES 44-67

.. code-block:: Python

    qmat = SSB2D(
        channels=["87Rb"],
        magnetic_flux_density=9.4,
        rotor_frequency=2604,
        spectral_dimensions=[
            SpectralDimension(
                count=32 * 4,
                spectral_width=2604 * 32,  # in Hz
                label="Anisotropic dimension",
            ),
            SpectralDimension(
                count=512,
                spectral_width=50000,  # in Hz
                label="Fast MAS dimension",
            ),
        ],
    )

    # A graphical representation of the method object.
    plt.figure(figsize=(5, 2.5))
    qmat.plot()
    plt.show()




.. image-sg:: /examples/2D_simulation(crystalline)/images/sphx_glr_plot_7_QSSB_Rb2SO4_001.png
   :alt: SSB2D
   :srcset: /examples/2D_simulation(crystalline)/images/sphx_glr_plot_7_QSSB_Rb2SO4_001.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 68-70

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

.. GENERATED FROM PYTHON SOURCE LINES 70-78

.. code-block:: Python

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

    # For 2D spinning sideband simulation, set the number of spinning sidebands in the
    # Simulator.config object to `spectral_width/rotor_frequency` along the sideband
    # dimension.
    sim.config.number_of_sidebands = 32
    sim.run()








.. GENERATED FROM PYTHON SOURCE LINES 79-80

The plot of the simulation.

.. GENERATED FROM PYTHON SOURCE LINES 80-90

.. code-block:: Python

    plt.figure(figsize=(4.25, 3.0))
    dataset = sim.methods[0].simulation.real
    ax = plt.subplot(projection="csdm")
    cb = ax.imshow(dataset / dataset.max(), aspect="auto", cmap="gist_ncar_r", vmax=0.15)
    plt.colorbar(cb)
    ax.invert_xaxis()
    ax.set_ylim(200, -200)
    plt.tight_layout()
    plt.show()




.. image-sg:: /examples/2D_simulation(crystalline)/images/sphx_glr_plot_7_QSSB_Rb2SO4_002.png
   :alt: plot 7 QSSB Rb2SO4
   :srcset: /examples/2D_simulation(crystalline)/images/sphx_glr_plot_7_QSSB_Rb2SO4_002.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 91-95

.. [#f1] Walder, B. J., Dey, K .K, Kaseman, D. C., Baltisberger, J. H., and Philip J.
      Grandinetti. Sideband separation experiments in NMR with phase incremented echo
      train acquisition, J. Chem. Phys. (2013) **138**, 174203.
      `DOI:10.1063/1.4803142 <https://doi.org/10.1063/1.4803142>`_


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

   **Total running time of the script:** (0 minutes 0.709 seconds)


.. _sphx_glr_download_examples_2D_simulation(crystalline)_plot_7_QSSB_Rb2SO4.py:

.. only:: html

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

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

      :download:`Download Jupyter notebook: plot_7_QSSB_Rb2SO4.ipynb <plot_7_QSSB_Rb2SO4.ipynb>`

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

      :download:`Download Python source code: plot_7_QSSB_Rb2SO4.py <plot_7_QSSB_Rb2SO4.py>`


.. only:: html

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

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