Zusammensetzungsschätzverfahren, Zusammensetzungsschätzvorrichtung, Programm, Probenbehälter und Thermogravimetrie-/massenspektrometrieverfahren

Details

Veröffentlichungs-Nr.

EP4760252

Anmeldetag

26. Juni 2024

Veröffentlichung

13. Februar 2025

Rechtsraum

EP

IPC

G01N27/62

Abstract

A composition estimation method includes acquiring first data including a change in mass of a sample and second data including a mass spectrum of gas components in the sample, using non-negative matrix factorization to decompose the second data into the product of a basis spectrum matrix and an intensity distribution matrix, correcting, on the basis of the first data, an effect of differences in ionization efficiency for each of the gas components reflected in the intensity distribution matrix to obtain a second intensity distribution matrix serving as a mass standard, decomposing the second intensity distribution matrix using non-negative matrix factorization into the product of a matrix containing mass fractions of a virtual sample in each sample and a matrix including feature vectors of the virtual sample, setting a (K-1)-simplex that encompasses all the feature vectors and that has the feature vectors as endmembers, and estimating the respective content ratios of the constituent elements in the sample from a ratio of distances between the K-number of endmembers and the feature vectors of the sample. According to this method, the problem of the accuracy and/or reproducibility in conventional methods can be improved.

Anmelder

Firma

National Institute for Materials Science

Land

🇯🇵 Japan