structure refinement

Structure refinement in scientific research involves improving a model of an object or system to better match observed data. For example, when scientists determine the atomic arrangement in a crystal, they start with an initial guess. Refinement adjusts this model iteratively, reducing discrepancies between the predicted data and actual measurements, until the model accurately represents the structure. This process helps scientists gain precise insights into the material’s exact configuration, which is essential for understanding its properties and functions.