Diffraction pattern analyzer for mixtures, method, program, and information storage medium

The diffraction pattern analyzer optimizes shape parameters to fit observed patterns, addressing the challenge of unknown components in X-ray diffraction analysis, enabling accurate intensity ratio and weight fraction calculation for mixtures.

JP7833174B2Active Publication Date: 2026-03-19RIGAKU CORP
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Patent Information

Authority / Receiving Office
JP · JP
Patent Type
Patents
Current Assignee / Owner
Filing Date
2022-03-02
Publication Date
2026-03-19

AI Technical Summary

Technical Problem

Conventional methods for quantitative analysis of mixtures using X-ray diffraction struggle when not all components have known diffraction patterns, making it difficult to accurately determine the intensity ratios and perform structural analysis of unknown components.

Method used

A diffraction pattern analyzer that utilizes a fitting pattern with adjustable shape parameters and intensity ratios to fit observed patterns, allowing for the calculation of intensity ratios even when some components have unknown diffraction patterns, using a system comprising an X-ray diffractometer, analyzer, and storage unit to optimize shape parameters and perform precise fitting.

Benefits of technology

Enables accurate calculation of intensity ratios and weight fractions for both known and unknown components, facilitating precise structural analysis and component identification.

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Abstract

To provide a diffraction pattern analysis device of a mixture which can calculate the intensity ratio of a diffraction pattern of components even when only the diffraction pattern of partial components is known.SOLUTION: A diffraction pattern analysis device of a mixture uses a fitting pattern including an item related to a known target pattern whose shape can be changed with a shape parameter and which indicates a target component and an item related to an unknown pattern that indicates a residual group. The device applies a given value to the shape parameter and fits the fitting pattern to an observation pattern in such a state that the unknown pattern is set as an initial pattern. Then, the device fits the fitting pattern to the observation pattern by changing the unknown pattern. The device executes the fitting by using the plurality of shape parameters and selects a calculation result related to any shape parameter.SELECTED DRAWING: Figure 2
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Citation Information

Patent Citations

  • Quantitative analyzer of amorphous phase, quantitative analysis method of amorphous phase, and quantitative analysis program of amorphous phase

    JP2019184254A