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|title|
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.. |title| replace:: diffpy.pdfgui documentation

diffpy.pdfgui - GUI for PDF simulation and structure refinement.

| Software version |release|
| Last updated |today|

For users who do not have the expertise or necessity for command
line analysis, PDFgui is a convenient and easy to use graphical front
end for the PDFfit2 refinement program. It is capable of full-profile
fitting of the atomic pair distribution function (PDF) derived from x-ray
or neutron diffraction data and comes with built in graphical and structure
visualization capabilities.

PDFgui is a friendly interface to the PDFfit2 refinement engine, with many
powerful extensions. To get started, please open the :ref:`manual`
(:download:`pdf <../manual/pdfgui.pdf>`) from the help menu or follow the :ref:`tutorial`.

=======
Authors
=======

DiffPy was initiated as part of the Distributed Data Analysis of Neutron
Scattering Experiments (DANSE) project, funded by the National Science
Foundation under grant DMR-0520547. Any opinions, findings, and conclusions or
recommendations expressed in this material are those of the author(s)
and do not necessarily reflect the views of the NSF.

The main contributors to this package were

    Chris Farrow,
    Jiwu Liu,
    Pavol Juhas,
    Dmitriy Bryndin

Other current and former contributors of the DiffPy project include

    Simon Billinge,
    Chris Farrow,
    Emil Bozin,
    Wenduo Zhou,
    Peng Tian

The DiffPy team is part of the Billinge Group at Columbia University in New York,
within the Department of Applied Physics and Applied Mathematics.

For a detailed list of contributors see
https://github.com/diffpy/diffpy.pdfgui/graphs/contributors.

=========
Reference
=========

If you use this program for a scientific research that leads to publication,
we ask that you acknowledge use of the program by citing the following paper
in your publication:

   C L Farrow, P Juhas, J W Liu, D Bryndin, E S Božin,
   J Bloch, Th Proffen and S J L Billinge, `PDFfit2 and PDFgui:
   computer programs for studying nanostructure in crystals <https://doi.org/10.1088/0953-8984/19/33/335219>`_,
   J. Phys.: Condens. Matter 19 (2007) 335219.

============
Installation
============

See the `README <https://github.com/diffpy/diffpy.pdfgui#installation>`_
file included with the distribution.

========
Tutorial
========

The tutorial for the package can be found here:

.. toctree::

   tutorial

=================
Table of contents
=================
.. toctree::
   :titlesonly:

   license
   release
   manual
   Package API <api/diffpy.pdfgui>

=======
Indices
=======

* :ref:`genindex`
* :ref:`search`