Monte Carlo Simulated Dataset of Wide-Angle X-ray Diffraction Patterns of Cellulose Microfibrils

Comprehensive dataset of 80,000 Monte Carlo-simulated X-ray diffraction patterns from the cellulose 200 lattice. The dataset was generated through Monte Carlo simulation based on established X-ray diffraction physics, incorporating cell wall geometries typical of wood anatomy - from circular fibers to polygonal tracheids - and accounting for the full range of crystallographic and anatomical parameters that influence diffraction patterns. Each simulated pattern required multiple nested Monte Carlo iterations (approximately 10 million per pattern), making the generation of such a dataset computationally intensive and time-consuming.