tools
XQueryer
What it does
The XQueryer web platform brings high-throughput diffraction simulation, single- and multiphase identification, and pattern refinement into a connected analysis workflow. It makes the underlying research methods accessible through an online interface for crystal analysis.
Approach & capabilities
Connects high-throughput diffraction simulation with crystal identification.
Provides online access to single- and multiphase analysis and pattern refinement.
Builds on crystal identification research published in National Science Review (NSR).
Read more
To achieve end-to-end intelligent structure identification, we developed a novel powder XRD simulation tool (SimXRD, ICLR 2025) that generates high-fidelity simulated XRD patterns closely aligned with experimental data.
Building on this, we also participate in the opXRD database project, striving to establish the largest experimental raw XRD database (opXRD, Adv. Intell. Discov.).
Furthermore, we introduced the first software–hardware integrated system for real-time structure identification, achieving state-of-the-art performance across diverse chemical systems. (XQueryer, Natl. Sci. Rev. https://doi.org/10.1093/nsr/nwaf421). An online website is freely available at https://xqueryer.caobin.asia/
For more details, refer to the document: WPEM Manual (figshare,file=51378833).