.. _sphx_glr_examples_1D_simulation(crystalline):


1D NMR simulation (small molecules/crystalline solids)
------------------------------------------------------

The following examples are the NMR spectrum simulation of small molecules and crystalline
solids for the following methods:

- Bloch decay method (:py:class:`~mrsimulator.method.lib.BlochDecaySpectrum`),
- Central transition selective Bloch decay method (:py:class:`~mrsimulator.method.lib.BlochDecayCTSpectrum`).
- Generic one-dimensional method (:py:class:`~mrsimulator.method.lib.Method1D`).



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


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    <div class="sphx-glr-thumbcontainer" tooltip="²⁹Si (I=1/2) spinning sideband simulation.">

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  .. image:: /examples/1D_simulation(crystalline)/images/thumb/sphx_glr_plot_0_Wollastonite_thumb.png
    :alt:

  :ref:`sphx_glr_examples_1D_simulation(crystalline)_plot_0_Wollastonite.py`

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


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    <div class="sphx-glr-thumbcontainer" tooltip="Simulating spectra of custom isotopes.">

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  .. image:: /examples/1D_simulation(crystalline)/images/thumb/sphx_glr_plot_10_custom_isotope_general_thumb.png
    :alt:

  :ref:`sphx_glr_examples_1D_simulation(crystalline)_plot_10_custom_isotope_general.py`

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      <div class="sphx-glr-thumbnail-title">Using Custom Isotopes</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Simulating spectra of custom isotopes">

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  .. image:: /examples/1D_simulation(crystalline)/images/thumb/sphx_glr_plot_11_custom_isotope_selective_excitation_thumb.png
    :alt:

  :ref:`sphx_glr_examples_1D_simulation(crystalline)_plot_11_custom_isotope_selective_excitation.py`

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      <div class="sphx-glr-thumbnail-title">Selective Excitations using Custom Isotopes</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="The alpha-carbon resonance of glycine, 13C (I=1/2), attached to 14N (I=1). The 14N quadrupolar ...">

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  .. image:: /examples/1D_simulation(crystalline)/images/thumb/sphx_glr_plot_12_quad_dipolar_thumb.png
    :alt:

  :ref:`sphx_glr_examples_1D_simulation(crystalline)_plot_12_quad_dipolar.py`

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      <div class="sphx-glr-thumbnail-title">Influence of 14N on 13C NMR MAS spectra of glycine</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="³³S (I=3/2) quadrupolar spectrum simulation.">

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  .. image:: /examples/1D_simulation(crystalline)/images/thumb/sphx_glr_plot_1_PotassiumSulfate_thumb.png
    :alt:

  :ref:`sphx_glr_examples_1D_simulation(crystalline)_plot_1_PotassiumSulfate.py`

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      <div class="sphx-glr-thumbnail-title">Potassium Sulfate, ³³S (I=3/2)</div>
    </div>


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

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  .. image:: /examples/1D_simulation(crystalline)/images/thumb/sphx_glr_plot_2_Coesite_thumb.png
    :alt:

  :ref:`sphx_glr_examples_1D_simulation(crystalline)_plot_2_Coesite.py`

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


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

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  .. image:: /examples/1D_simulation(crystalline)/images/thumb/sphx_glr_plot_3_quad_csa_thumb.png
    :alt:

  :ref:`sphx_glr_examples_1D_simulation(crystalline)_plot_3_quad_csa.py`

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      <div class="sphx-glr-thumbnail-title">Non-coincidental Quad and CSA, ¹⁷O (I=5/2)</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="²⁷Al (I=5/2) quadrupolar spectrum simulation.">

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  .. image:: /examples/1D_simulation(crystalline)/images/thumb/sphx_glr_plot_4_satellite_transition_sim_thumb.png
    :alt:

  :ref:`sphx_glr_examples_1D_simulation(crystalline)_plot_4_satellite_transition_sim.py`

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      <div class="sphx-glr-thumbnail-title">Arbitrary spin transition (single-quantum)</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="³³S (I=5/2) quadrupolar spectrum simulation.">

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  .. image:: /examples/1D_simulation(crystalline)/images/thumb/sphx_glr_plot_5_multi-quantum_spectrum_thumb.png
    :alt:

  :ref:`sphx_glr_examples_1D_simulation(crystalline)_plot_5_multi-quantum_spectrum.py`

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      <div class="sphx-glr-thumbnail-title">Arbitrary spin transition (multi-quantum)</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="¹³C-¹H static dipolar coupling simulation.">

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  .. image:: /examples/1D_simulation(crystalline)/images/thumb/sphx_glr_plot_6_dipolar_coupled_thumb.png
    :alt:

  :ref:`sphx_glr_examples_1D_simulation(crystalline)_plot_6_dipolar_coupled.py`

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      <div class="sphx-glr-thumbnail-title">Coupled spin-1/2 (Static dipolar spectrum)</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="¹³C-¹H sideband simulation">

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  .. image:: /examples/1D_simulation(crystalline)/images/thumb/sphx_glr_plot_7_CAS_dipolar_J_thumb.png
    :alt:

  :ref:`sphx_glr_examples_1D_simulation(crystalline)_plot_7_CAS_dipolar_J.py`

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      <div class="sphx-glr-thumbnail-title">Coupled spin-1/2 (CSA + heteronuclear dipolar + J-couplings)</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Writing custom methods using the Event objects.">

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  .. image:: /examples/1D_simulation(crystalline)/images/thumb/sphx_glr_plot_9_custom_method_Hahnecho_thumb.png
    :alt:

  :ref:`sphx_glr_examples_1D_simulation(crystalline)_plot_9_custom_method_Hahnecho.py`

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      <div class="sphx-glr-thumbnail-title">Writing Custom methods (HahnEcho)</div>
    </div>


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    </div>


.. toctree::
   :hidden:

   /examples/1D_simulation(crystalline)/plot_0_Wollastonite
   /examples/1D_simulation(crystalline)/plot_10_custom_isotope_general
   /examples/1D_simulation(crystalline)/plot_11_custom_isotope_selective_excitation
   /examples/1D_simulation(crystalline)/plot_12_quad_dipolar
   /examples/1D_simulation(crystalline)/plot_1_PotassiumSulfate
   /examples/1D_simulation(crystalline)/plot_2_Coesite
   /examples/1D_simulation(crystalline)/plot_3_quad_csa
   /examples/1D_simulation(crystalline)/plot_4_satellite_transition_sim
   /examples/1D_simulation(crystalline)/plot_5_multi-quantum_spectrum
   /examples/1D_simulation(crystalline)/plot_6_dipolar_coupled
   /examples/1D_simulation(crystalline)/plot_7_CAS_dipolar_J
   /examples/1D_simulation(crystalline)/plot_9_custom_method_Hahnecho