ALLOWANCE FOR DEBYE SCATTERING IN WILSON-PLOT LEAST-SQUARES PROCEDURES

Truncation of experimental data to sin-theta/lambda values where Debye effects are important produces systematic errors in the estimates of the scale and overall temperature factors. Debye scattering is estimated through the calculation of the radial atomic distribution function D(u) and is approximated via the first two maxima of D(u). Introduction of Debye scattering in the Wilson-plot least-squares procedures leads to improved estimates of scale and temperature factors.