نرم افزار UnitCel

UnitCell is a program which runs on Macintosh computers and under Windows. It refines cell parameters from powder diffraction data. Unlike most existing cell refinement programs it does not require initial estimates for cell constants; it uses a non-linear least squares method, which allows the refinement to be carried out on the actual observed data (e.g. two- theta in the case of angle-dispersive monochromatic diffraction, energy in the case of energy-dispersive diffraction). Furthermore, the program incorporates regression diagnostics, particularly deletion diagnostics, to aid in the detection of outliers and influential data which could be deleterious to the regressed results. These diagnostic tools are particularly valuable in assessing the sensitivity of the calculated results to the observations of individual Bragg peaks.