PDF-Files for Practice

[Chris Rho]

Hello PDF-Community!

I'm a Masters Student attempting to get a hold on  PDF and PDF-Fitting especially. Regarding the fitting part, I worked my way through the PDFs delivered as examples/tutorials delivered with Diffpy CMI and PDFgetX3.

Now I'm out of food, which is why i have a request: Would somebody be so kind to send me some random PDFs to tinker around with? Doesnt have to be anything exciting, in fact I'd be most grateful about PDFs of inorganic phases, e.g. alloys and minerals. Also, I'd also be interested in working with the PDF of an amorphous phase.

I hope, I'm not asking to much. Still, this aspiring PDF-user would be very grateful.

Cheers,

Chris

[Ranjith Devaraj]

Hey Chris,

Are you still working on PDF?

Regards,

   RANJITH DEVARAJ

   Research Assistant

   

Phone: 937-789-4484  Email: ranjith...@wmich.edu PhD (Candidate),  Mechanical and Aerospace Engineering “Dream is not something that you see in sleep but is something which doesn't let you sleep...” ― A.P.J. Abdul Kalam

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[Ratel-Ramond Nicolas]

Dear community,

I would like to share a Python code that I developed to help in the routine structural analysis of nanoparticles. This software is called "PDF-for-nano".

First of all I must say that the code is not compiled. I apologize about that (lack of time).

PDF-for-nano is a Python based software dedicated to Pair Distribution Function (PDF) analysis of nanoparticles.
The Graphical User Interface allows to:

• generate structural models of various shapes of crystalline or non crystalline (Icosahedra, Decahedra, Octahedra) particles
  
• simulate the scattering curves and PDF produced by the structural model
• refine the structural model from experimental PDF

The software depends mostly on diffpy-cmi and ase Python libraries, without which it could not exist. I therefore acknowledge the developers of those two libraries.

I would be very happy to have any feedback from the community, in order to improve it. There is some documentation and tutorial examples to explore the functionalities of the software, and to assist you in your first steps.

The software can be downloaded here: https://zenodo.org/records/10694186

If it is of any help with your research, it can be cited using

Best regards,

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Nicolas Ratel-Ramond
Ingénieur de Recherche
LPCNO- INSA de Toulouse
135 avenue de Rangueil
31077 Toulouse cedex 4