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Update doc with pbso4 example
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doc/manual/source/examples/cimetidine-structure-solution-powder.nblink

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doc/manual/source/examples/index.rst

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@@ -13,15 +13,24 @@ Example of importing a CIF file from a file or the
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and displaying it in a widget using
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`3dmol.js <https://3dmol.csb.pitt.edu/>`_.
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:doc:`Solving a crystal structure from its powder pattern <cimetidine-structure-solution-powder>`
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=================================================================================================
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:doc:`Solving the cimetidine structure from its powder pattern <structure-solution-powder-cimetidine>`
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======================================================================================================
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In this example, a powder pattern is used to solve the crystal
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structure of Cimetidine. This covers all the steps: loading the
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data, indexing the pattern (determining the unit cell), finding
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the spacegroup, profile fitting, and solving the structure
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using a global optimisation algorithm.
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:doc:`Solving the PbSO4 structure from its X and N powder patterns <structure-solution-powder-pbso4>`
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=====================================================================================================
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In this example, two powder patterns (X-ray and neutron) are used to solve
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the crystal structure of PbSO4. This covers all the steps: loading the
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data, indexing the pattern (determining the unit cell), finding
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the spacegroup, profile fitting for the two patterns, and solving the
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structure using a global optimisation algorithm.
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:doc:`Meta-structure solution using multi-processing <structure-solution-multiprocessing>`
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==========================================================================================
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{
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"path": "../../../../examples/structure-solution-powder-cimetidine.ipynb"
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}
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{
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"path": "../../../../examples/structure-solution-powder-pbso4.ipynb"
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}

doc/manual/source/index.rst

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@@ -49,7 +49,8 @@ pyobjcryst can be used in different ways:
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See the :doc:`examples/index`:
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* :doc:`3D Crystal structure display <examples/crystal_3d_widget>`
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* :doc:`Solving a crystal structure from its powder pattern <examples/cimetidine-structure-solution-powder>`
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* :doc:`Solving the cimetidine structure from its powder pattern <examples/structure-solution-powder-cimetidine>`
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* :doc:`Solving the PbSO4 structure from its X and N powder patterns <examples/structure-solution-powder-pbso4>`
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* :doc:`Meta-structure solution using multi-processing <examples/structure-solution-multiprocessing>`
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* :doc:`Quantitative phase analysis (QPA) <examples/Quantitative-phase-analysis>`
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