US 2026/0036558 A1Published application

Method and System for Processing Chromatogram Data

AssigneeShimadzu Corporation

InventorsYuichiro FUJITA, Akira NISHIO, Davide Giovanni VECCHIETTI, Toshinobu YANAGISAWA

Life of this patent

Estimating the term…

Loading patent…

Abstract

First data includes chromatogram data consisting of the retention time and the signal intensity of transmitted/absorbed light acquired. Second data is three-dimensional data consisting of the retention time, mass-to-charge ratio and signal intensity. A first retention-time range where a target peak is present and the waveform of the target peak are determined in a chromatogram created from the first data. The number of component peaks within a second retention-time range which corresponds to the first retention-time range in a three-dimensional graph created from the second data is acquired as a measured component-peak number. Model functions whose number equals the measured component-peak number are created, each function involving a peak-width variable representing the width of a component peak. The model functions are gradually modified by adjusting their peak-width variables until the degree of similarity in waveform between the target peak and a model peak expressed by those functions exceeds a threshold.

Claims10

Dependent claims

A method for processing chromatogram data, comprising:

a data preparation process for preparing first data including chromatogram data consisting of a retention time and a signal intensity of transmitted/absorbed light having a predetermined wavelength acquired by performing a chromatographic analysis for a sample containing a plurality of components, as well as second data which is three-dimensional data consisting of a retention time, a mass-to-charge ratio and a signal intensity acquired for the sample;
a target-peak-information acquisition process for acquiring information concerning a first retention-time range where a target peak is present and information concerning a waveform of the target peak, from a chromatogram created based on the first data;
a component-peak-information acquisition process for acquiring, as a measured component-peak number, a number of component peaks within a second retention-time range which corresponds to the first retention-time range in a three-dimensional graph created based on the second data;
a model function preparation process for preparing one or a plurality of model functions whose number equals the measured component-peak number, where each of the one or plurality of model functions involves a peak-width variable representing a peak width of a component peak;
a model modification process for modifying the one or plurality of model functions by adjusting a value of the peak-width variable in the one or plurality of model functions;
a similarity determination process for comparing a shape of the waveform of the target peak and a waveform of a model peak expressed by the one or plurality of model functions, to determine a degree of similarity between the model peak and the target peak;
and
a completion determination process for determining that a modification of the one or plurality of model functions should be completed when the degree of similarity is equal to or higher than a threshold.

5 more elements

A system for processing chromatogram data, comprising:

a data storage section configured to store first data including chromatogram data consisting of a retention time and a signal intensity of transmitted/absorbed light having a predetermined wavelength acquired by performing a chromatographic analysis for a sample containing a plurality of components, as well as second data which is three-dimensional data consisting of a retention time, a mass-to-charge ratio and a signal intensity acquired for the sample;
and
a data-processing section configured to perform a computation using the first data and the second data stored in the data storage section,
where the data-processing section includes:
a target-peak-information acquirer configured to acquire information concerning a first retention-time range where a target peak is present and information concerning a waveform of the target peak, from a chromatogram created based on the first data stored in the data storage section;
a component-peak-information acquirer configured to acquire, as a measured component-peak number, a number of component peaks within a second retention-time range which corresponds to the first retention-time range in a three-dimensional graph created based on the second data stored in the data storage section;
a model function preparer configured to prepare one or a plurality of model functions whose number equals the measured component-peak number, where each of the one or plurality of model functions involves a peak-width variable representing a peak width of a component peak;
a model modifier configured to modify the one or plurality of model functions by adjusting a value of the peak-width variable in the one or plurality of model functions;
a similarity determiner configured to compare a shape of the waveform of the target peak and a waveform of a model peak expressed by the one or plurality of model functions, to determine the degree of similarity between the model peak and the target peak;
and
a completion determiner configured to determine that a modification of the one or plurality of model functions should be completed when the degree of similarity is equal to or higher than a threshold.

8 more elements

Dependencies are inferred from the claim text.