hikari.scripts.fcf
==================

.. py:module:: hikari.scripts.fcf


Functions
---------

.. autoapisummary::

   hikari.scripts.fcf.baycon_plot
   hikari.scripts.fcf.observed_vs_calculated_plot
   hikari.scripts.fcf.normal_probability_plot
   hikari.scripts.fcf.fcf_descriptors
   hikari.scripts.fcf.calculate_sample_form_factors


Module Contents
---------------

.. py:function:: baycon_plot(x_key='ze', y_key='si', a=10.0, b=10.0, c=10.0, al=90.0, be=90.0, ga=90.0, input_path='shelx.fcf', input_format='shelx_fcf', input_wavelength='MoKa', output_path='baycon.png')

   For a given .fcf file prepare a bayesian conditional probability plot
   between x_key and y_key.

   :param x_key: Parameter of HklFrame which will be placed on x axis
   :type x_key: str
   :param y_key: Parameter of HklFrame which will be placed on x axis
   :type y_key: str
   :param a: Unit cell parameter *a* in Angstrom.
   :type a: float
   :param b: Unit cell parameter *b* in Angstrom.
   :type b: float
   :param c: Unit cell parameter *c* in Angstrom.
   :type c: float
   :param al: Unit cell parameter *alpha* in degrees.
   :type al: float
   :param be: Unit cell parameter *alpha* in degrees.
   :type be: float
   :param ga: Unit cell parameter *alpha* in degrees.
   :type ga: float
   :param input_path: Path to the input .fcf file.
   :type input_path: str
   :param input_format: Format of the input .fcf file. For reference see
       :meth:`hikari.dataframes.HklFrame.interpret_hkl_format`.
   :type input_format: int or str or dict
   :param input_wavelength: Wavelength of radiation utilised in experiment.
   :type input_wavelength: float or str
   :param output_path: Path to the output .png file.
   :type output_path: str


.. py:function:: observed_vs_calculated_plot(input_path='shelx.fcf', input_format='shelx_fcf', output_path='Io_vs_Ic.png')

.. py:function:: normal_probability_plot(input_path='shelx.fcf', input_format='shelx_fcf', output_path='Io_vs_Ic.png')

.. py:function:: fcf_descriptors(input_path='shelx.fcf', input_format='shelx_fcf')

.. py:function:: calculate_sample_form_factors(a, b, c, al, be, ga, space_group, res_path)

   Estimate and print selected IAM XRD form factors for given crystal structure

   :param a: Unit cell parameter *a* in Angstrom.
   :type a: float
   :param b: Unit cell parameter *b* in Angstrom.
   :type b: float
   :param c: Unit cell parameter *c* in Angstrom.
   :type c: float
   :param al: Unit cell parameter *alpha* in degrees.
   :type al: float
   :param be: Unit cell parameter *alpha* in degrees.
   :type be: float
   :param ga: Unit cell parameter *alpha* in degrees.
   :type ga: float
   :param space_group: Short Hermann-Mauguin name or index of space group.
       For details see table in hikari.symmetry.space_groups.
   :type space_group: str or int
   :param res_path: Absolute or relative path to the input .res file.
   :type res_path: str
   :return: None
   :rtype: None