The correction of measured structure factors for thermal diffuse scattering

Correction of X-ray intensities for thermal diffuse scattering (TDS) is necessary, though difficult in practice. Existing calculations for the TDS correction are reviewed and the hitherto neglected resolution function, R(q), of the diffractometer is discussed. It is concluded that overcorrection for inelastic scattering results when R(q) is ignored. Computation of accurate corrections requires a knowledge of the elastic constants of the material, experimental measurement of R(q) for several reflexions and considerable machine programming and computing time.