نرم افزار UnitCel

نام انگلیسی: 
UnitCel
درباره ی نرم افزار: 

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.‎


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