Condor

Condor simulates X-ray far-field scattering amplitudes from isolated particles to predict diffraction patterns for experimental design and reconstruction algorithm development in X-ray free-electron laser (XFEL) imaging.

Key Features:

• Far-field scattering simulation: Simulates X-ray far-field scattering amplitudes and diffraction signals from isolated particles.
• Atomic and refractive-index models: Accepts user-defined atomic models or refractive index models to represent samples.
• Experimental-parameter optimization: Evaluates instrument constraints to identify optimal experimental configurations.
• Feasibility testing: Simulates proposed imaging experiments to assess viability under specified conditions.
• Algorithm development support: Generates realistic test diffraction data for development and benchmarking of reconstruction algorithms.
• Application to non-crystalline samples: Enables simulation of diffraction patterns without requiring crystallization, relevant for single-particle XFEL studies.

Scientific Applications:

• High-resolution structural determination: Supports prediction of diffraction patterns for structural analysis of biological macromolecules and materials without crystallization.
• XFEL experimental planning: Enables feasibility assessment and optimization of XFEL experiments to maximize data quality and efficient use of beam time.
• Reconstruction algorithm benchmarking: Provides simulated diffraction datasets for testing, validation, and development of reconstruction and analysis algorithms.

Methodology:

Simulates X-ray scattering amplitudes from user-defined atomic or refractive index models of isolated particles to produce predicted far-field diffraction patterns used for experimental optimization and algorithm testing.