Data processing device, data processing method, and data processing system

Patent metadata

Field	Value
Publication number	US-2025027916-A1
Application number	US-202418767151-A
Country	US
Kind code	A1
Filing date	Jul 9, 2024
Priority date	Jul 20, 2023
Publication date	Jan 23, 2025
Grant date	—

Abstract

The data processing device includes a data acquisition unit that acquires detection data indicating signal intensity corresponding to a component in a sample detected by the detection device, and a computing unit that processes the detection data acquired by the data acquisition unit. The computing unit is configured to: generate a plurality of analysis data including a peak of the signal intensity based on the detection data; generate a plurality of clusters by grouping the peak included in each of the plurality of analysis data using hierarchical clustering based on peak information corresponding to the peak; and prohibit grouping a plurality of peaks included in the same analysis data, into the same cluster in the hierarchical clustering.

First claim

What is claimed is:

1 . A data processing device that processes data, the data processing device comprising:
a data acquisition unit that acquires detection data indicating signal intensity corresponding to a component in a sample detected by a detection device; and a computing unit that processes the detection data acquired by the data acquisition unit, wherein the computing unit is configured to:
generate a plurality of analysis data including a peak of the signal intensity based on the detection data;
generate a plurality of clusters by grouping the peak included in each of the plurality of analysis data using hierarchical clustering based on peak information corresponding to the peak; and
prohibit grouping a plurality of peaks satisfying a specific condition based on the peak information, into a same cluster in the hierarchical clustering.

2 . The data processing device according to claim 1 , wherein
the detection device is a chromatograph, and each of the plurality of analysis data is a chromatogram illustrating a peak of the signal intensity for a retention time.

3 . The data processing device according to claim 1 , wherein the computing unit is configured to generate a table based on the peak information corresponding to a peak included in each of the plurality of clusters.

4 . The data processing device according to claim 3 , wherein the computing unit is configured to:
calculate a representative value of each of the plurality of clusters; and generate the table based on the representative value of each of the plurality of clusters.

5 . The data processing device according to claim 3 , wherein the computing unit is configured to prohibit generating the table using one cluster according to the number of peaks included in the one cluster among the plurality of clusters.

6 . The data processing device according to claim 3 , wherein the computing unit is configured to generate the table using a peak extracted based on a difference between a peak included in one cluster and another peak included in the one cluster and a difference between a peak included in the one cluster and a peak included in another cluster.

7 . The data processing device according to claim 4 , wherein the computing unit is configured to calculate the representative value using a peak extracted based on a difference between a peak included in one cluster and another peak included in the one cluster and a difference between a peak included in the one cluster and a peak included in another cluster.

8 . The data processing device according to claim 1 , wherein the computing unit is configured to perform weighting, the weighting being larger than weighting of other peak information, on at least one piece of the peak information and execute the hierarchical clustering based on the weighted peak information.

9 . The data processing device according to claim 1 , wherein the computing unit is configured to exclude, among peaks included in one cluster, a peak close to a peak included in another cluster from the one cluster.

10 . The data processing device according to claim 2 , wherein the peak information includes at least one of the retention time, a number, a width, an area, an area ratio, a height, and a height ratio at a peak.

11 . The data processing device according to claim 2 , wherein the peak information includes at least one of the retention time, a number, a width, an area, an area ratio, a height, and a height ratio at a peak before or after a peak as a target of the hierarchical clustering.

12 . The data processing device according to claim 1 , wherein the hierarchical clustering is clustering according to at least one of a shortest distance method, a longest distance method, and a centroid method.

13 . The data processing device according to claim 1 , wherein the specific condition includes at least one of a condition that the plurality of peaks are included in same analysis data, a condition that spectra of the plurality of peaks are different, and a condition that a difference in the peak information in the plurality of peaks exceeds a predetermined range.

14 . A data processing method for a computer to process data, the data processing method comprising:
as processing executed by the computer, acquiring detection data indicating signal intensity corresponding to a component in a sample detected by a detection device; and processing the detection data acquired by the acquiring, wherein the processing the detection data includes
generating a plurality of analysis data including a peak of the signal intensity based on the detection data, and
generating a plurality of clusters by grouping the peak included in each of the plurality of analysis data using hierarchical clustering based on peak information corresponding to the peak, and
the generating the plurality of clusters includes prohibiting grouping a plurality of peaks satisfying a specific condition based on the peak information, into a same cluster in the hierarchical clustering.

15 . A data processing system that processes data, the data processing system comprising:
a detection device; and a data processing device that processes data, wherein the data processing device includes
a data acquisition unit that acquires detection data indicating signal intensity corresponding to a component in a sample detected by the detection device, and
a computing unit that processes the detection data acquired by the data acquisition unit,
the computing unit is configured to:
generate a plurality of analysis data including a peak of the signal intensity based on the detection data;
generate a plurality of clusters by grouping the peak included in each of the plurality of analysis data using hierarchical clustering based on peak information corresponding to the peak; and
prohibit grouping a plurality of peaks satisfying a specific condition based on the peak information, into a same cluster in the hierarchical clustering.

Assignees

• Shimadzu Corp

Inventors

• Kawai Harunori

Classifications

• G01N30/8631 Primary

  Peaks · CPC title

• G01N30/8682

  Group type analysis, e.g. of components having structural properties in common · CPC title

• G01N30/8689

  Peak purity of co-eluting compounds · CPC title

• G06F18/23213

  with fixed number of clusters, e.g. K-means clustering · CPC title

• G06F18/231 Primary

  Hierarchical techniques, i.e. dividing or merging pattern sets so as to obtain a dendrogram · CPC title