.. DO NOT EDIT.
.. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY.
.. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE:
.. "examples/1D_simulation(crystalline)/plot_5_multi-quantum_spectrum.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_5_multi-quantum_spectrum.py>`
        to download the full example code

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

.. _sphx_glr_examples_1D_simulation(crystalline)_plot_5_multi-quantum_spectrum.py:


Arbitrary spin transition (multi-quantum)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

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

.. GENERATED FROM PYTHON SOURCE LINES 9-10

Simulate a triple quantum spectrum.

.. GENERATED FROM PYTHON SOURCE LINES 10-18

.. code-block:: Python

    import numpy as np
    import matplotlib.pyplot as plt

    from mrsimulator import Simulator, SpinSystem, Site
    from mrsimulator.method import Method, SpectralDimension, SpectralEvent
    from mrsimulator.spin_system.tensors import SymmetricTensor









.. GENERATED FROM PYTHON SOURCE LINES 20-21

Create a single-site arbitrary spin system.

.. GENERATED FROM PYTHON SOURCE LINES 21-29

.. code-block:: Python

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








.. GENERATED FROM PYTHON SOURCE LINES 30-44

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

For single-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 symmetry query object of `transition_queries`. Refer to the
:ref:`transition_query_documentation` for details.

Here, we select the symmetric triple-quantum transition.

.. GENERATED FROM PYTHON SOURCE LINES 44-70

.. code-block:: Python

    method = Method(
        name="Arbitrary Transition Method",
        channels=["27Al"],
        magnetic_flux_density=21.14,  # in T
        rotor_frequency=np.inf,  # in Hz
        rotor_angle=54.7356 * np.pi / 180,  # in rads
        spectral_dimensions=[
            SpectralDimension(
                count=1024,
                spectral_width=5e3,  # in Hz
                reference_offset=2.5e4,  # in Hz
                events=[
                    SpectralEvent(
                        # symmetric triple quantum transitions
                        transition_queries=[{"ch1": {"P": [-3], "D": [0]}}]
                    ),
                ],
            )
        ],
    )

    # A graphical representation of the method object.
    plt.figure(figsize=(4, 2.5))
    method.plot()
    plt.show()




.. image-sg:: /examples/1D_simulation(crystalline)/images/sphx_glr_plot_5_multi-quantum_spectrum_001.png
   :alt: Arbitrary Transition Method
   :srcset: /examples/1D_simulation(crystalline)/images/sphx_glr_plot_5_multi-quantum_spectrum_001.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 71-72

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

.. GENERATED FROM PYTHON SOURCE LINES 72-82

.. code-block:: Python

    sim = Simulator(spin_systems=[spin_system], methods=[method])
    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_5_multi-quantum_spectrum_002.png
   :alt: plot 5 multi quantum spectrum
   :srcset: /examples/1D_simulation(crystalline)/images/sphx_glr_plot_5_multi-quantum_spectrum_002.png
   :class: sphx-glr-single-img






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

   **Total running time of the script:** (0 minutes 0.448 seconds)


.. _sphx_glr_download_examples_1D_simulation(crystalline)_plot_5_multi-quantum_spectrum.py:

.. only:: html

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

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

      :download:`Download Jupyter notebook: plot_5_multi-quantum_spectrum.ipynb <plot_5_multi-quantum_spectrum.ipynb>`

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

      :download:`Download Python source code: plot_5_multi-quantum_spectrum.py <plot_5_multi-quantum_spectrum.py>`


.. only:: html

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

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