.. _sphx_glr_examples_2D_simulation(crystalline):


2D NMR simulation (Crystalline solids)
--------------------------------------

The following examples are the NMR spectrum simulation for crystalline solids. The
examples include the illustrations for the following methods:

- Triple-quantum variable-angle spinning (i.e., 3Q-MAS) using the specialized
  :func:`~mrsimulator.method.lib.ThreeQ_VAS` method.
- Satellite-transition variable-angle spinning (i.e., ST-MAS) using the specialized
  :func:`~mrsimulator.method.lib.ST1_VAS` method.
- Switched Angle Spinning (SAS) using the generic :func:`~mrsimulator.method.Method` object.
- MAS-detected Dynamic Angle Spinning (DAS) using the generic :func:`~mrsimulator.method.Method` object.
- Correlation of Anisotropies Separated Through Echo Refocusing (COASTER) using the generic
  :func:`~mrsimulator.method.Method` object.
- Phase Adjusted Spinning Sidebands (PASS and QPASS) and Magic-Angle Turning (MAT and QMAT) using the
  specialized :func:`~mrsimulator.method.lib.SSB2D` method.



.. raw:: html

    <div class="sphx-glr-thumbnails">


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="⁸⁷Rb (I=3/2) triple-quantum magic-angle spinning (3Q-MAS) simulation.">

.. only:: html

  .. image:: /examples/2D_simulation(crystalline)/images/thumb/sphx_glr_plot_0_MQMAS_RbNO3_thumb.png
    :alt:

  :ref:`sphx_glr_examples_2D_simulation(crystalline)_plot_0_MQMAS_RbNO3.py`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">RbNO₃, ⁸⁷Rb (I=3/2) 3QMAS</div>
    </div>


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="²⁷Al (I=5/2) triple-quantum magic-angle spinning (3Q-MAS) simulation.">

.. only:: html

  .. image:: /examples/2D_simulation(crystalline)/images/thumb/sphx_glr_plot_1_MQMAS_albite_thumb.png
    :alt:

  :ref:`sphx_glr_examples_2D_simulation(crystalline)_plot_1_MQMAS_albite.py`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">Albite, ²⁷Al (I=5/2) 3QMAS</div>
    </div>


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="⁸⁷Rb (I=3/2) satellite-transition off magic-angle spinning simulation.">

.. only:: html

  .. image:: /examples/2D_simulation(crystalline)/images/thumb/sphx_glr_plot_1_STMAS_RbNO3_thumb.png
    :alt:

  :ref:`sphx_glr_examples_2D_simulation(crystalline)_plot_1_STMAS_RbNO3.py`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">RbNO₃, ⁸⁷Rb (I=3/2) STMAS</div>
    </div>


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="⁸⁷Rb (I=3/2) Switched-angle spinning (SAS) simulation.">

.. only:: html

  .. image:: /examples/2D_simulation(crystalline)/images/thumb/sphx_glr_plot_2_SAS_Rb2SO4_thumb.png
    :alt:

  :ref:`sphx_glr_examples_2D_simulation(crystalline)_plot_2_SAS_Rb2SO4.py`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">Rb₂SO₄, ⁸⁷Rb (I=3/2) SAS</div>
    </div>


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="Co59 (I=7/2) satellite-transition magic-angle spinning simulation. (Quad-coupling cross terms)">

.. only:: html

  .. image:: /examples/2D_simulation(crystalline)/images/thumb/sphx_glr_plot_2_STMAS_quad_coupling_cross_thumb.png
    :alt:

  :ref:`sphx_glr_examples_2D_simulation(crystalline)_plot_2_STMAS_quad_coupling_cross.py`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">Co59 (I=7/2) STMAS</div>
    </div>


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="Co59 (I=7/2) satellite-transition magic-angle spinning simulation. (Quad-csa cross terms)">

.. only:: html

  .. image:: /examples/2D_simulation(crystalline)/images/thumb/sphx_glr_plot_2_STMAS_quad_shield_cross_thumb.png
    :alt:

  :ref:`sphx_glr_examples_2D_simulation(crystalline)_plot_2_STMAS_quad_shield_cross.py`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">Co59 (I=7/2) STMAS</div>
    </div>


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="⁸⁷Rb (I=3/2) Switched-angle spinning (SAS) simulation.">

.. only:: html

  .. image:: /examples/2D_simulation(crystalline)/images/thumb/sphx_glr_plot_3_SAS_Rb2CrO4_thumb.png
    :alt:

  :ref:`sphx_glr_examples_2D_simulation(crystalline)_plot_3_SAS_Rb2CrO4.py`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">Rb₂CrO₄, ⁸⁷Rb (I=3/2) SAS</div>
    </div>


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="¹⁷O (I=5/2) 3QMAS simulation.">

.. only:: html

  .. image:: /examples/2D_simulation(crystalline)/images/thumb/sphx_glr_plot_4_3QMAS_Coesite_thumb.png
    :alt:

  :ref:`sphx_glr_examples_2D_simulation(crystalline)_plot_4_3QMAS_Coesite.py`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">Coesite, ¹⁷O (I=5/2) 3QMAS</div>
    </div>


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="¹⁷O (I=5/2) Dynamic-angle spinning (DAS) simulation.">

.. only:: html

  .. image:: /examples/2D_simulation(crystalline)/images/thumb/sphx_glr_plot_4_DAS_Coesite_thumb.png
    :alt:

  :ref:`sphx_glr_examples_2D_simulation(crystalline)_plot_4_DAS_Coesite.py`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">Coesite, ¹⁷O (I=5/2) DAS</div>
    </div>


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="⁸⁷Rb (I=3/2) Correlation of anisotropies separated through echo refocusing (COASTER) simulation...">

.. only:: html

  .. image:: /examples/2D_simulation(crystalline)/images/thumb/sphx_glr_plot_5_COASTER_Rb2CrO4_thumb.png
    :alt:

  :ref:`sphx_glr_examples_2D_simulation(crystalline)_plot_5_COASTER_Rb2CrO4.py`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">Rb₂CrO₄, ⁸⁷Rb (I=3/2) COASTER</div>
    </div>


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="¹³C (I=1/2) 2D Phase-adjusted spinning sideband (PASS) simulation.">

.. only:: html

  .. image:: /examples/2D_simulation(crystalline)/images/thumb/sphx_glr_plot_6_PASS_itraconazole_drug_thumb.png
    :alt:

  :ref:`sphx_glr_examples_2D_simulation(crystalline)_plot_6_PASS_itraconazole_drug.py`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">Itraconazole, ¹³C (I=1/2) PASS</div>
    </div>


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="⁸⁷Rb (I=3/2) Quadrupolar Magic-angle turning (QMAT) simulation.">

.. only:: html

  .. image:: /examples/2D_simulation(crystalline)/images/thumb/sphx_glr_plot_7_QSSB_Rb2SO4_thumb.png
    :alt:

  :ref:`sphx_glr_examples_2D_simulation(crystalline)_plot_7_QSSB_Rb2SO4.py`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">Rb₂SO₄, ⁸⁷Rb (I=3/2) QMAT</div>
    </div>


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="²⁹Si (I=1/2) magic angle flipping.">

.. only:: html

  .. image:: /examples/2D_simulation(crystalline)/images/thumb/sphx_glr_plot_8_MAF_thumb.png
    :alt:

  :ref:`sphx_glr_examples_2D_simulation(crystalline)_plot_8_MAF.py`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">Wollastonite, ²⁹Si (I=1/2), MAF</div>
    </div>


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="²H (I=1) 2D NMR CSA-Quad 1st order correlation spectrum simulation.">

.. only:: html

  .. image:: /examples/2D_simulation(crystalline)/images/thumb/sphx_glr_plot_9_shifting-d_thumb.png
    :alt:

  :ref:`sphx_glr_examples_2D_simulation(crystalline)_plot_9_shifting-d.py`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">MCl₂.2D₂O, ²H (I=1) Shifting-d echo</div>
    </div>


.. raw:: html

    </div>


.. toctree::
   :hidden:

   /examples/2D_simulation(crystalline)/plot_0_MQMAS_RbNO3
   /examples/2D_simulation(crystalline)/plot_1_MQMAS_albite
   /examples/2D_simulation(crystalline)/plot_1_STMAS_RbNO3
   /examples/2D_simulation(crystalline)/plot_2_SAS_Rb2SO4
   /examples/2D_simulation(crystalline)/plot_2_STMAS_quad_coupling_cross
   /examples/2D_simulation(crystalline)/plot_2_STMAS_quad_shield_cross
   /examples/2D_simulation(crystalline)/plot_3_SAS_Rb2CrO4
   /examples/2D_simulation(crystalline)/plot_4_3QMAS_Coesite
   /examples/2D_simulation(crystalline)/plot_4_DAS_Coesite
   /examples/2D_simulation(crystalline)/plot_5_COASTER_Rb2CrO4
   /examples/2D_simulation(crystalline)/plot_6_PASS_itraconazole_drug
   /examples/2D_simulation(crystalline)/plot_7_QSSB_Rb2SO4
   /examples/2D_simulation(crystalline)/plot_8_MAF
   /examples/2D_simulation(crystalline)/plot_9_shifting-d