This article covers FullProfAPP, an open-source tool for automating powder diffraction data analysis with an intuitive GUI. It discusses phase searches, Rietveld refinements, background detection, and more. Read more: ow.ly/XUjY50USmSZ @upvehu @JApplCryst @IUCr

🎉CIC energiGUNE in collab with @ILLGrenoble, @icmabCSIC & @ALBAsynchrotron released a paper on #FullProfAPP: a tool for #powderdiffraction data analysis💻; simplifies #processing, #refinement & visualization with user-friendly interface & open-source!✨journals.iucr.org/paper?S160…

Oier Arcelus et al.: FullProfAPP: a graphical user interface for the streamlined automation of powder diffraction data analysis #RietveldRefinement #Software #GraphicalUserInterfaces @upvehu... #IUCr journals.iucr.org/paper?S160…

Not sure it's entirely what you want but I've worked with Xerus in the past, which wraps GSAS-II with a Bayesian optimizer and can screen OPTIMADE and other dbs (github.com/pedrobcst/Xerus), or the new iteration of fullprofapp is open source (gitlab.org/d7081/fullprofapp)

CIC @energigune_brta culmina el software #FullProfAPP, que revolucionará la investigación en materiales gracias a su capacidad de análisis de grandes series de datos bit.ly/48fssp2

📢CIC energiGUNE lanza #FullProfAPP, que revolucionará la investigación de materiales gracias a su capacidad para analizar grandes conjuntos de datos. 🤝En colaboración con @icmabCSIC, @ILLGrenoble y @ALBAsynchrotron en el marco de @BIGMAP_EU. info👇: cicenergigune.com/es/noticia…

Intense days for the @2030Battery @BIGMAP_EU FullProfApp initiative for automated XRD data treatment with @ILLGrenoble, @energigune_brta and @ALBAsynchrotron: beamtime over the WE with @CasasCabanas and @DChatzo (@phd_destiny) and training by Oier Arcelus, stay tuned!

🔬 FullProfApp is being developed as part of the @BIGMAP_EU. This automated tool will include new routines and #machinelearning into Rietveld analysis, reducing time & #costs. 🖱Click NOW in the link below and find all the #software-related information!👇 cicenergigune.com/en/fullpro…

👨‍🔬 Committed with the #professionalgrowth of our team, today we hosted a new edition of #ScientificSeminars2022 🙌 ▶ Dr. Oier Arcelus: FullProfAPP: Walking through a new automated Rietveld XRD analysis tool ▶ Dr. Alfonso Gallo: Experiments and modelling: a happy marriage?

🆕CIC energiGUNE develops the automated software #FullProfAPP to accelerate scientific discoveries in the field of crystalline materials in collaboration with @icmabCSIC, @ILLGrenoble and @ALBAsynchrotron, in the framework of the @BIGMAP_EU project: cicenergigune.com/en/news/ci…

CIC energiGUNE desarrolla el software automatizado #FullProfAPP para acelerar los descubrimientos científicos en el campo de los materiales cristalinos en colaboración con @icmabCSIC, @ILLGrenoble y @ALBAsynchrotron, en el marco del proyecto @BIGMAP_EU: cicenergigune.com/es/noticia…

FullProfAPP, a new tool for autonomous, high-throughput powder diffraction data treatment, is one of the new Stakeholder Projects of @BIGMAP_EU A collaboration between @ILLGrenoble @icmabCSIC @energigune_brta @ALBAsynchrotron @2030Battery Learn more: youtu.be/sT2RFHmMk1g

FullProfAPP uses open-science tools with new routines and machine learning algorithms to automate the analysis of HTS diffraction data. They aim to process several dozens to hundreds of patterns in batches to gather structural data and quantitative phase analysis. @2030battery