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docs/source/funcxy.rst

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.. _funcxy:
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Using funcxy with Commonly-Used Diffraction Software
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####################################################
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The general xy morph ``funcxy`` can be used to tune parameters
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of many popular diffraction software functions.
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Below, we give templates for how one can use ``funcxy``
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with `PDFgetx3 <https://www.diffpy.org/products/pdfgetx.html>`_
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and `PyFai <https://pyfai.readthedocs.io/en/stable/>`_.
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Getting a Better PDF with PDFgetx3
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==================================
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In PDFgetx3, the ``PDFGetter`` takes in a 1D diffraction
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pattern I(Q) and returns a PDF G(r).
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There are many parameters you can specify, such as
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- ``qmin``: Lower Q-cutoff for the Fourier transform giving the PDF
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- ``qmax``: Upper Q-cutoff for the Fourier transform giving the PDF
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- ``qmaxinst``: Upper Q-boundary for meaningful signal
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- ``rpoly``: Approximately the low-r bound of meaningful G(r) values
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Furthermore, you can supply a background file ``backgroundfile``
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and subtract a scaled version of the background file by the
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scaling factor ``bgscale``.
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We will showcase an example of how one would refine over the
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``PDFGetter`` parameters using ``funcxy`` to obtain a PDF.
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.. code-block::
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from diffpy.pdfgetx.pdfgetter import PDFGetter
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from diffpy.morph.morphpy import morph_arrays
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from diffpy.utils.parsers.loaddata import loadData
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Performing Detector Calibration with PyFai
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==========================================

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