X-ray diffraction (XRD) peaks in a low-angle diffraction section of clay minerals, especially those of authigenic origin, have broadening and tailing features in shape. Using the five basic parameters, peak position, peak height, width, shape coefficient and asymmetry, to describe an XRD peak is more accurate, comprehensive and integrated than using only 3 of them, position, height and width. Following the concept of the five basic parameters of an XRD peak, the program Decoform proposed in this study provides more information in mineralogical analyses by fitting actual XRD profiles. In combination with the HW-IR plot, Decoform can be systematically and accurately used in the comprehensive analyses of crystallinity, domain size, lattice strain and quantitative phase. It is also of value for the geological investigations of diagenesis, metamorphism, basin maturity, structural stress field and so on.