New releases from the diffpy team

[Simon Billinge]

We are happy to announce new releases of some of our main diffpy software packages as well as the release of a new package, diffpy.morph.  We encourage you to update your systems and  to start using these updated packages.  For installation instructions please see the product page on diffpy.org or the READMEs at the links provided.  Please let us know if you encounter any problems.diffpy.cmi (https://github.com/diffpy/diffpy.cmi) v3.1.2
  A flexible fitting engine for everything from PDFs to the stock market (but mostly for PDFs atm)

• - Now running natively on windows as well as MacOS and Linux
• compatible with python 3.11, 3.12 and 3.13
• - Completely changed the installation approach to make it more extendable and configurable
• - Added a bunch of examples and made it much easier to install them. Please see the docs at https://www.diffpy.org/diffpy.cmi/

PDFgetx3 v2.4.0
   Software for reducing 1D diffraction intensity data to get the PDF

• - Free for academic use (paid license needed for commercial use)
• please see https://www.diffpy.org/products/pdfgetx.html for instructions how to get this
• - Working on python 3.11, 3.12 and 3.13
• - Lorch function implemented as well as multiple backgrounds
• for xPDFsuite users, an updated xPDFsuite is on the way but currently undergoing testing

As a reminder, the latest version of PDFgui is v3.1.0 which was released in February 2025.  You may think about upgrading if you have not done so in some time.New program:
diffpy.morph (https://www.diffpy.org/diffpy.morph/) v0.3.1
   Powerful program for model independent analysis of sets of raw data.  The program will make corrections to distortions to datasets by applying low-frequency transformations such as scale, stretch and smear to correct for unwanted differences in data due to

• - initial release of the new program, please test it out
• - A paper describing the program will be submitted shortly and will appear at arXiv
• - Works with Python 3.11, 3.12 and 3.13

--

Simon Billinge

Professor, 

Materials Department

University of California, Santa Barbara