AIXtal – AI aided Web Refinement Platform for First-Time Users

AIXtal is a web-based easy-access refinement platform to cater specifically first-time users. AIXtal offers a simplified user interface with reduced complexity, including tutorials, tooltips, and AI helpers for assistance. Currently, AIXtal supports GSAS-II and Fullprof refinements on X-ray powder diffraction data.

 The platform provides the visualization of structural, experimental and refinement data, including a simplified, graphical background selection. The user is assisted by on-demand assistance on refinement parameters, either by short tooltips or by an AI-guide semi-quantitatively judging the last refinement result/parameters and thereby recommending next refinement steps. For more in-depth investigation, the user may also access a compact view (web or PDF) of refinement parameters, including esd’s. If unfavorable refinement steps are indicated, the user can trust on the history function to jump back to any time wanted. Additionally, AIXtal allows users to export the refinement results in GPX format, allowing for further analysis with GSAS-II, if needed at all.

 Current status, AI-helpers and features of AIXtal as well as its technical design principles are shown.