| 摘要 |
A crystalline phase identification method, a crystalline phase identification device, and a crystalline phase identification program which can conduct qualitative analysis with higher precision are provided. The crystalline phase identification method for identifying crystalline phases contained in a sample by powder diffraction pattern of the sample with use of database includes: a whole pattern fitting step of subjecting a first diffraction pattern which is the powder diffraction pattern to whole pattern fitting with the use of crystalline phase information contained in the sample to calculate a theoretical diffraction pattern of the crystalline phase(s) already identified; a residual information generating step of generating residual information on the sample on the basis of a difference between the theoretical diffraction pattern and the first diffraction pattern; and a residual information search and matching step of comparing the residual information with the database to select a new crystalline phase contained in the sample. |
