公开(公告)号：US20230097148A1

公开(公告)日：2023-03-30

申请号：US17888806

申请日：2022-08-16

申请人： SHIMADZU CORPORATION

发明人： Yuichiro FUJITA ,  Akira NISHIO

IPC分类号： G01N30/86 ,  G06K9/00 ,  G06K9/62

摘要： A data processing method includes: a data preparing step of preparing actual data of a three-dimensional chromatogram including a chromatogram and a spectrum acquired by chromatography analysis for a sample containing a plurality of components, and spectral data for the plurality of components in the sample whose peaks overlap each other on the chromatogram of the actual data; a similarity calculating step of calculating, for each wavelength region, a similarity between wavelength regions corresponding to each other in the spectral data for the plurality of components prepared in the data preparing step while comprehensively changing the wavelength regions; a target range setting step of setting a target range by searching for a wavelength region having a similarity lower than an overall similarity between the spectral data for the plurality of components based on a calculation result in the similarity calculating step; and a peak separating step of creating chromatogram data for the plurality of components by performing, using the spectral data for the plurality of components, matrix decomposition of the actual data in the target range set in the target range setting step.

公开(公告)号：US20230132326A1

公开(公告)日：2023-04-27

申请号：US17951553

申请日：2022-09-23

申请人： SHIMADZU CORPORATION

发明人： Yuichiro FUJITA ,  Akira NISHIO ,  Davide Giovanni VECCHIETTI

IPC分类号： G01N33/68 ,  G01N30/72

摘要： A data processing method for creating simulation data of a three-dimensional chromatogram for a sample containing a plurality of components. The data processing method includes a data preparing step of preparing chromatogram data and spectrum data of each of a plurality of the components, a parameter determining step of determining a parameter including a ratio of concentration of a plurality of the components in the sample to each other and separation degree of peaks of a plurality of the components on a chromatogram from each other, a data adjusting step of adjusting a peak area and a peak position of chromatogram data of each of a plurality of the components based on the parameter determined in the parameter determining step, and a matrix product step of calculating matrix product of a spectrum data group including spectrum data of each of a plurality of the components and a chromatogram data group including chromatogram data of each of a plurality of the components adjusted in the data adjusting step, and creating simulation data of a three-dimensional chromatogram for the sample based on a result of the calculation.

公开(公告)号：US20230110970A1

公开(公告)日：2023-04-13

申请号：US17894611

申请日：2022-08-24

申请人： SHIMADZU CORPORATION

发明人： Akira NISHIO ,  Yuichiro FUJITA

IPC分类号： G01N30/86

摘要： A first analysis step of acquiring a three-dimensional chromatogram of at least one sample by executing, for the sample, first chromatography analysis using a photodiode array under a condition that a plurality of components contained in the sample can be separated from each other, and extracting spectrum data of each of a plurality of the components contained in the sample from the three-dimensional chromatogram of the sample, a second analysis step of executing second chromatography analysis using a photodiode array on another sample whose main component is the same as that of the sample under a condition that a three-dimensional chromatogram can be obtained in a shorter time than the first chromatography analysis to acquire a three-dimensional chromatogram of the another sample, and a peak separation step of acquiring peak separated data for the another sample in which peaks of a plurality of components contained in the another sample are separated from each other are included by applying peak separation processing based on the spectrum data extracted in the first analysis step to the three-dimensional chromatogram of the another sample acquired in the second analysis step.

公开(公告)号：US20230324350A1

公开(公告)日：2023-10-12

申请号：US18111691

申请日：2023-02-20

申请人： SHIMADZU CORPORATION

发明人： Yuichiro FUJITA ,  Akira NISHIO

IPC分类号： G01N30/86

CPC分类号： G01N30/8631 ,  G01N30/8693

摘要： A data processing system includes an original data storage part (2) that stores original data of a three-dimensional chromatogram including chromatogram data and a spectrum acquired by chromatography analysis, an arithmetic processor (4) configured to execute peak estimation processing of estimating peaks included in a peak waveform portion of the original data stored in the original data storage part by repeating a component estimation step of estimating a three-dimensional chromatogram of one peak component included in the peak waveform portion until synthesis data obtained by synthesizing three-dimensional chromatograms of all estimated peak components of which three-dimensional chromatograms are estimated in the component estimation step approximates the original data, and a maximum number storage part (6) that stores a maximum number of the estimated peak components. The arithmetic processor (4) is configured to end the peak estimation processing regardless of situation of an approximation of the synthesized data with respect to the original data when the number of the estimated peak components reaches the maximum number.

公开(公告)号：US20230112812A1

公开(公告)日：2023-04-13

申请号：US17894252

申请日：2022-08-24

申请人： SHIMADZU CORPORATION

发明人： Yuichiro FUJITA ,  Akira NISHIO

IPC分类号： G01N30/86

摘要： A data processing method for separating peaks of a plurality of components overlapping on a chromatogram from each other using actual data of a three-dimensional chromatogram including a chromatogram and a spectrum acquired by chromatographic analysis on a sample. The data processing method includes an adjustment target peak acquisition step of obtaining a plurality of adjustment target peaks by applying, to the chromatogram, a peak model function prepared in advance to approximate a waveform of the chromatogram, and an adjustment target peak adjustment step of setting a plurality of the adjustment target peaks obtained in the adjustment target peak acquisition step as initial values before adjustment, and repeating adjustment of the adjustment target peaks until pseudo data of a three-dimensional chromatogram on the sample obtained by combining the adjustment target peaks after adjustment is similar to the actual data.