XGANDALF

XGANDALF performs automatic indexing of diffraction patterns in serial crystallography to determine crystal orientations and merge data from many randomly oriented single-crystal snapshots for structural analysis.

Key Features:

• Automatic Indexing: Performs automatic indexing of diffraction patterns without requiring prior lattice-parameter knowledge while accepting provided lattice information.
• High Indexing Rates: Produces higher indexing rates in comparative tests than alternative programs.
• Handling Multiple Crystals: Indexes diffraction patterns containing contributions from multiple crystals illuminated simultaneously.
• Optimized Performance: Optimized for fast execution to support near real-time processing during serial crystallography experiments.
• Small‑Spot Performance: Effectively indexes patterns with a small number of Bragg spots per image.

Scientific Applications:

• Serial crystallography data processing: Facilitates orientation determination and merging of single-shot diffraction patterns in serial crystallography experiments.
• Structural biology: Improves the yield and quality of indexed diffraction patterns used for macromolecular structure determination.

Methodology:

Implemented as a C++ library and integrated into the CrystFEL software suite.