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Merged
merged 12 commits into from
Jun 25, 2018
Merged

Add xinterpdf #18

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4a8d3ca
changes to add-xinterpdf updated three rst files, add an image, edit …
Jun 18, 2018
57a292c
Add files via upload
curieshicy Jun 18, 2018
0ff3150
Update GNUmakefile
curieshicy Jun 18, 2018
87bbcbb
Delete GNUmakefile
curieshicy Jun 19, 2018
7673204
modify files based on Pavol's instructions
Jun 19, 2018
754c404
merge since local and online repos diverge
Jun 19, 2018
541c76b
Delete GNUmakefile
curieshicy Jun 19, 2018
87f8cbc
Use simple ASCII quotes in a text license
pavoljuhas Jun 25, 2018
4df36d3
Reformat sources for 72-character text width
pavoljuhas Jun 25, 2018
14d966a
Use the same abbreviated JAC name
pavoljuhas Jun 25, 2018
172b0c8
Simplify syntax for full URLs in the text
pavoljuhas Jun 25, 2018
df8c43c
Fix typo it is indeed a `Scree` plot
pavoljuhas Jun 25, 2018
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Use the same abbreviated JAC name 
Add link to diffpy-users.  Fix few typos.
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@pavoljuhas
pavoljuhas committed Jun 25, 2018
commit 14d966a71feb7e0d63a367f56f744744a34eea63
8 changes: 7 additions & 1 deletion abbreviations.txt
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@@ -1,5 +1,11 @@
.. vim: set ft=rst:

.. Named web links -----------------------------------------------------

.. _diffpy-users: https://groups.google.com/d/forum/diffpy-users

.. Citations -----------------------------------------------------------

.. |citeJuhasJac13| replace::
P. Juhás and T. Davis, C. L. Farrow, S. J. L. Billinge, `PDFgetX3:
A rapid and highly automatable program for processing powder
Expand Down Expand Up @@ -244,4 +250,4 @@
C. Shi,
xINTERPDF: a GUI program for analyzing intermolecular pair
distribution functions of organic compounds from X-ray total
scattering data, under review, *J. Appl. Cryst.*, (2018).
scattering data, under review, *J. Appl. Crystallogr.*, (2018).
10 changes: 5 additions & 5 deletions products/xinterpdf.rst
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Expand Up @@ -13,10 +13,10 @@ Currently it supports:
subtracting out the scattering signal(s) of single molecule(s) in real
space.
* The PDF model fit of the crystalline organic compound using the method
proposed by Prill *et al*. (`J. Appl. Cryst., 48, 171-178, 2015
proposed by Prill *et al*. (`J. Appl. Crystallogr., 48, 171-178, 2015
<http://scripts.iucr.org/cgi-bin/paper?S1600576714026454>`__).
* The phase quantification of physical mixtures of organics.
* Generate Score/Scree plots based on Principle Component Analysis (PCA).
* Generate Score/Screen plots based on Principle Component Analysis (PCA).

A video demo about installation and usage is available at
`https://www.youtube.com/watch?v=lAFZ5VYEH1g
Expand All @@ -30,8 +30,8 @@ is hosted at `GitHub page <https://github.com/curieshicy/xINTERPDF>`__.

This is a first release of the program (v.0.1.0). Comments and
suggestions are welcome. Please send an email to Chenyang Shi at
cs3000@columbia.edu and/or post your questions at diffpy-users
Google Groups.
cs3000@columbia.edu or post your questions to `diffpy-users`_
Google Group.

Getting Started
===============
Expand All @@ -50,7 +50,7 @@ See the :doc:`xINTERPDF license <xinterpdflicense>` for terms and conditions of
Installation
------------

xINTERPDF can be installed on Linux and macOS machines. The recommended
xINTERPDF can be installed on Linux and Mac OS machines. The recommended
way to install this package is through conda. Please visit
`https://www.continuum.io/downloads
<https://www.continuum.io/downloads>`__, and select Python 2.7 version
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