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diffpy.pdfgui documentation

diffpy.pdfgui - Graphical user interface program for structure refinements to the atomic pair distribution function.

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 <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, J. Phys.: Condens. Matter 19 (2007) 335219.

Installation

See the README file included with the distribution.

Tutorial

The tutorial for the package can be found here:

.. toctree::

   tutorial

Table of contents

.. toctree::
   :titlesonly:

   examples
   extras
   license
   release
   Package API <api/diffpy.pdfgui>

Indices