From f46c2445ada7a4b8f60f11996b326da3ecbf9b9a Mon Sep 17 00:00:00 2001 From: Tieqiong Zhang Date: Tue, 20 Aug 2024 08:08:17 -0400 Subject: [PATCH] add a bit more in readme --- README.rst | 11 +++++++++-- 1 file changed, 9 insertions(+), 2 deletions(-) diff --git a/README.rst b/README.rst index 1f869245..3f1a9a10 100644 --- a/README.rst +++ b/README.rst @@ -38,10 +38,17 @@ Graphical user interface program for structure refinements to atomic pair distribution function. +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 manual from the -help menu and follow the tutorial instructions. A detailed description -is available in the doc/Farrow-jpcm-2007.pdf paper. +help menu and follow the tutorial instructions. A detailed description +is available in `this paper `_. For more information about diffpy.pdfgui, please consult our `online documentation `_.