PDFitc.org is back up and running

[Simon Billinge]

Great news everyone.  It was way more work than we originally anticipated, but with the help and  the hard work of Rundong Hu, we have managed to get https://pdfitc.org back up and running.

Please go and check it out.  

StructureMining: You can upload a PDF and it will guess the structure and provide you with cif files to start you modeling

SpaceGroupMining: You can upload a PDF and PDFitc will guess what space-group your sample is from using a CNN machine learning model

NMFmapping: you can upload a moderate sized set of PDFs or powder diffraction patterns and get an NMF decomposition including components and weights.

PearsonMapping: you can upload a set of data and PDFitc will output the Pearson correlation matrix showing the similarity between all your datasets

The website is now running on resources at UCSB (where I moved in January) and is updated to recent python and ubuntu versions.  These updates allow us to now extend the code and add new features and ML models so please look out for announcements on this.

If you used it before, all your previous work is now restored again under your profile.

Thanks again for your patience while we struggled to get everything going again and migrated to UCSB.

S

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Simon Billinge

Distinguished Professor of Materials Science

Director, CNSI (California NanoSystems Institute)

University of California, Santa Barbara

Tel: 805-893-8716 + Email: sbil...@ucsb.edu