Quantitative phase analysis device, quantitative phase analysis method, and non-transitory computer-readable storage medium storing quantitative phase analysis program

A quantitative phase analysis method for performing quantitative phase analysis of crystalline phases contained in a sample based on a powder diffraction pattern of the sample, the quantitative phase analysis method comprising:

• acquiring the powder diffraction pattern of the sample;
• acquiring information on a plurality of crystalline phases contained in the sample;
• acquiring a fitting function for each of the plurality of crystalline phases, by selecting one fitting function from the group consisting of a first fitting function that uses an integrated intensity obtained by whole-powder pattern decomposition, a second fitting function that uses an integrated intensity obtained by observation or calculation, and a third fitting function that uses a profile intensity obtained by observation or calculation;
• executing whole-powder pattern fitting for the powder diffraction pattern of the sample by using the fitting function for each of the plurality of crystalline phases, to thereby acquire a fitting result;
• and
• calculating a weight ratio of the plurality of crystalline phases based on the fitting result,
• wherein, for the plurality of crystalline phases, two or more types of fitting functions among the first fitting function to the third fitting function are selected.

A non-transitory computer-readable storage medium storing a quantitative phase analysis program for performing quantitative phase analysis of crystalline phases contained in a sample based on a powder diffraction pattern of the sample, the quantitative phase analysis program causing a computer to execute processing comprising:

• acquiring the powder diffraction pattern of the sample;
• acquiring information on a plurality of crystalline phases contained in the sample;
• acquiring a fitting function for each of the plurality of crystalline phases, by selecting one fitting function from the group consisting of a first fitting function that uses an integrated intensity obtained by whole-powder pattern decomposition, a second fitting function that uses an integrated intensity obtained by observation or calculation, and a third fitting function that uses a profile intensity obtained by observation or calculation;
• executing whole-powder pattern fitting for the powder diffraction pattern of the sample by using the fitting function for each of the plurality of crystalline phases, to thereby acquire a fitting result;
• and
• calculating a weight ratio of the plurality of crystalline phases based on the fitting result,
• wherein, for the plurality of crystalline phases, two or more types of fitting functions among the first fitting function to the third fitting function are selected.