Abstract: X-ray diffraction is an effective mean for analyzing material properties. This paper developed a new computational software for determining the properties of crystalline materials such as elastic constants, residual stresses, surface hardness, phase components, and etc. The results computed from the X-ray diffraction method were compared to those from the traditional methods and they are in the 95% confidential limits, showing that the newly developed software has high reproducibility, opening a possibility of its commercialization.