.. only:: html

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

        Click :ref:`here <sphx_glr_download_examples_1D_simulation(crystalline)_plot_4_multi-quantum_spectrum.py>`     to download the full example code or to run this example in your browser via Binder
    .. rst-class:: sphx-glr-example-title

    .. _sphx_glr_examples_1D_simulation(crystalline)_plot_4_multi-quantum_spectrum.py:


Simulate arbitrary transitions (multi-quantum)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

33S (I=5/2) quadrupolar spectrum simulation.

Simulate a triple quantum spectrum.


.. code-block:: python

    import matplotlib as mpl
    import matplotlib.pyplot as plt
    from mrsimulator import Simulator, SpinSystem, Site
    from mrsimulator.methods import Method1D

    # global plot configuration
    mpl.rcParams["figure.figsize"] = [4.5, 3.0]








Create a single-site arbitrary spin system.


.. code-block:: python

    site = Site(
        name="27Al",
        isotope="27Al",
        isotropic_chemical_shift=35.7,  # in ppm
        quadrupolar={"Cq": 2.959e6, "eta": 0.98},  # Cq is in Hz
    )
    spin_system = SpinSystem(sites=[site])








Selecting the triple-quantum transition
---------------------------------------

For spin-site spin-5/2 spin system, there are three triple-quantum transition

- :math:`|1/2\rangle\rightarrow|-5/2\rangle` (:math:`P=-3, D=6`)
- :math:`|3/2\rangle\rightarrow|-3/2\rangle` (:math:`P=-3, D=0`)
- :math:`|5/2\rangle\rightarrow|-1/2\rangle` (:math:`P=-3, D=-6`)

To select one or more triple-quantum transitions, assign the respective value of P and
D to the `transition_query`.


.. code-block:: python

    method = Method1D(
        channels=["27Al"],
        magnetic_flux_density=21.14,  # in T
        rotor_frequency=1e9,  # in Hz
        spectral_dimensions=[
            {
                "count": 1024,
                "spectral_width": 5e3,  # in Hz
                "reference_offset": 2.5e4,  # in Hz
                "events": [
                    {  # symmetric triple quantum transitions
                        "transition_query": {"P": [-3], "D": [0]}
                    }
                ],
            }
        ],
    )








Create the Simulator object and add the method and the spin system object.


.. code-block:: python

    sim = Simulator()
    sim.spin_systems += [spin_system]  # add the spin system
    sim.methods += [method]  # add the method
    sim.run()

    # The plot of the simulation before signal processing.
    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:: /examples/1D_simulation(crystalline)/images/sphx_glr_plot_4_multi-quantum_spectrum_001.png
    :alt: plot 4 multi quantum spectrum
    :class: sphx-glr-single-img






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

   **Total running time of the script:** ( 0 minutes  0.205 seconds)


.. _sphx_glr_download_examples_1D_simulation(crystalline)_plot_4_multi-quantum_spectrum.py:


.. only :: html

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


  .. container:: binder-badge

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      :alt: Launch binder
      :width: 150 px


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

     :download:`Download Python source code: plot_4_multi-quantum_spectrum.py <plot_4_multi-quantum_spectrum.py>`



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

     :download:`Download Jupyter notebook: plot_4_multi-quantum_spectrum.ipynb <plot_4_multi-quantum_spectrum.ipynb>`


.. only:: html

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

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