@@ -5,15 +5,15 @@ Example notebooks
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Several examples available in the pyobjcryst repository:
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:doc: `3D Crystal structure display <crystal_3d_widget >`
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- ================================================================
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+ =======================================================
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Example of importing a CIF file from a file or the
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`Crystallography Open Database <http://crystallography.net/cod/ >`_
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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 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
@@ -22,7 +22,7 @@ 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
@@ -31,14 +31,14 @@ 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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This is a more advanced example where 8 different spacegroups are
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tested in parallel to determine which one is correct. The solutions
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can then be compared and displayed individually.
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- :doc: `Quantitative phase analysis (QPA) <Quantitative- phase- analysis >`
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- ===============================================================================
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+ :doc: `Quantitative phase analysis (QPA) <QPA-Quantitative phase analysis >`
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+ ==========================================================================
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Example of QPA based on the data available from the `1999 Round Robin
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<https://www.iucr.org/__data/iucr/powder/QARR/samples.htm> `_,
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