Crystal structure determination

Crystal structure determination is a scientific process used to reveal the three-dimensional arrangement of atoms within a crystalline material. When a pure substance forms a crystal, its atoms are arranged in a repeating, ordered pattern. Scientists direct X-ray beams at the crystal; the atoms scatter the rays, creating a diffraction pattern. By analyzing this pattern using mathematical techniques, researchers can construct a detailed 3D map showing the positions of atoms. This information helps understand the material's properties and functions, and is essential for designing new drugs, materials, and understanding biological structures at the atomic level.