WO2021235090A1 - 複合計測統合ビューアおよびプログラム - Google Patents

複合計測統合ビューアおよびプログラム Download PDF

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Publication number
WO2021235090A1
WO2021235090A1 PCT/JP2021/012826 JP2021012826W WO2021235090A1 WO 2021235090 A1 WO2021235090 A1 WO 2021235090A1 JP 2021012826 W JP2021012826 W JP 2021012826W WO 2021235090 A1 WO2021235090 A1 WO 2021235090A1
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WO
WIPO (PCT)
Prior art keywords
display
feature amount
display area
sample
types
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Ceased
Application number
PCT/JP2021/012826
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English (en)
French (fr)
Japanese (ja)
Inventor
智裕 川瀬
栩生 張
詩織 永井
聡 山本
宏明 山田
和加奈 伊藤
将志 福地
祐馬 海野
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Sumitomo Rubber Industries Ltd
Shimadzu Corp
Original Assignee
Sumitomo Rubber Industries Ltd
Shimadzu Corp
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Sumitomo Rubber Industries Ltd, Shimadzu Corp filed Critical Sumitomo Rubber Industries Ltd
Priority to US17/926,990 priority Critical patent/US20230204607A1/en
Priority to JP2022524298A priority patent/JP7377970B2/ja
Priority to DE112021002914.2T priority patent/DE112021002914T5/de
Priority to CN202180036068.3A priority patent/CN115667912B/zh
Publication of WO2021235090A1 publication Critical patent/WO2021235090A1/ja
Anticipated expiration legal-status Critical
Ceased legal-status Critical Current

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    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/86—Signal analysis
    • G01N30/8651—Recording, data aquisition, archiving and storage
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N35/00—Automatic analysis not limited to methods or materials provided for in any single one of groups G01N1/00 - G01N33/00; Handling materials therefor
    • G01N35/00584—Control arrangements for automatic analysers
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/62—Detectors specially adapted therefor
    • G01N30/72—Mass spectrometers
    • G01N30/7206—Mass spectrometers interfaced to gas chromatograph
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/86—Signal analysis
    • G01N30/8624—Detection of slopes or peaks; baseline correction
    • G01N30/8631—Peaks
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/88—Integrated analysis systems specially adapted therefor, not covered by a single one of the groups G01N30/04 - G01N30/86
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N2030/022—Column chromatography characterised by the kind of separation mechanism
    • G01N2030/025—Gas chromatography
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N2030/022—Column chromatography characterised by the kind of separation mechanism
    • G01N2030/027—Liquid chromatography
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/88—Integrated analysis systems specially adapted therefor, not covered by a single one of the groups G01N30/04 - G01N30/86
    • G01N2030/8804—Integrated analysis systems specially adapted therefor, not covered by a single one of the groups G01N30/04 - G01N30/86 automated systems
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N35/00—Automatic analysis not limited to methods or materials provided for in any single one of groups G01N1/00 - G01N33/00; Handling materials therefor
    • G01N2035/00178—Special arrangements of analysers
    • G01N2035/00306—Housings, cabinets, control panels (details)
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N35/00—Automatic analysis not limited to methods or materials provided for in any single one of groups G01N1/00 - G01N33/00; Handling materials therefor
    • G01N35/00584—Control arrangements for automatic analysers
    • G01N35/00722—Communications; Identification
    • G01N35/00732—Identification of carriers, materials or components in automatic analysers
    • G01N2035/00821—Identification of carriers, materials or components in automatic analysers nature of coded information
    • G01N2035/00851—Identification of carriers, materials or components in automatic analysers nature of coded information process control parameters
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N35/00—Automatic analysis not limited to methods or materials provided for in any single one of groups G01N1/00 - G01N33/00; Handling materials therefor
    • G01N35/00584—Control arrangements for automatic analysers
    • G01N35/00722—Communications; Identification
    • G01N2035/00891—Displaying information to the operator
    • G01N2035/0091—GUI [graphical user interfaces]

Definitions

  • the present invention relates to a composite measurement integrated viewer and a program.
  • An analysis system (hereinafter, also referred to as “multiple analyzer cross-sectional analysis system”) for cross-sectionally analyzing a plurality of measurement results obtained by a plurality of types of analytical instruments has been proposed.
  • an analysis system of this type for example, Japanese Patent Application Laid-Open No. 2017-194360 (Patent Document 1) describes at least one of a fluorescent X-ray analyzer, an atomic absorption spectrophotometer, and an inductively coupled plasma emission spectrometer, and infrared rays.
  • a sample analysis system that acquires measurement data of a target sample using multiple types of analytical instruments, including at least one of a spectrophotometer and a Raman spectrophotometer, and identifies the target sample based on the acquired measurement data. It has been disclosed.
  • the measurement data of the device suitable for the analysis of the inorganic substance and the measurement data of the device suitable for the analysis of the organic substance are used in combination to improve the identification accuracy of the target sample.
  • a feature amount suitable for a specific analysis purpose or application is selected and displayed from a plurality of feature amounts acquired from a plurality of measurement results. , It is required to be able to perform analysis such as machine learning using this selected feature quantity.
  • the present invention has been made to solve such a problem, and an object thereof is to provide a user interface that facilitates cross-sectional analysis of measurement results by a plurality of types of analytical instruments.
  • the combined measurement integrated viewer is stored in a storage means for storing each of a plurality of types of analytical instruments and a storage means for storing the types of features obtained from the measurement results of the analytical instruments.
  • a display control means for displaying the type of the feature amount on the display screen so as to be selectable, and a registration means for registering a set of the type of the feature amount selected by the operator among the types of the feature amount with a name. Be prepared.
  • the display control means arranges the first display area for displaying the types of the feature amount in tabs for each type of the analytical instrument and the second display area for displaying the set of the types of the feature amount selected by the operator on the display screen. indicate.
  • FIG. 1 It is a schematic diagram explaining the configuration example of the composite analysis instrument cross-sectional analysis system to which the composite measurement integrated viewer according to the embodiment is applied. It is a figure which shows typically the hardware configuration example of an information processing apparatus, a server, and a viewer. It is a figure which shows schematic the functional structure of an information processing apparatus, a server and a viewer. It is a flowchart for demonstrating the template creation process in a viewer. It is a figure which shows an example of a template creation screen. It is a figure which shows an example of a template creation screen. It is a figure which shows an example of a template creation screen. It is a flowchart for demonstrating the display process in a viewer. It is a figure which shows an example of the operation screen. It is a figure which shows an example of the operation screen. It is a figure which shows typically the display screen example of a viewer.
  • FIG. 1 is a schematic diagram illustrating a configuration example of a composite analyzer cross-sectional analysis system to which the composite measurement integrated viewer according to the present embodiment is applied.
  • the combined analyzer cross-sectional analysis system (hereinafter, also simply referred to as “analysis system”) is a system for cross-sectionally analyzing a plurality of measurement results acquired by a plurality of types of analysis instruments.
  • the combined measurement integrated viewer (hereinafter, also simply referred to as “viewer”) according to the present embodiment displays the measurement result selected by the operator from the plurality of measurement results and the feature amount obtained from the measurement result. It is composed of.
  • the analysis system 100 includes a plurality of types of analysis devices 4, a server 2, a database 3, and at least one viewer 1.
  • the plurality of types of analytical instruments 4 measure samples.
  • the plurality of types of analytical instruments 4 include, for example, a liquid chromatograph device (LC), a gas chromatograph device (GC), a liquid chromatograph mass spectrometer (LC-MS), a gas chromatograph mass spectrometer (GC-MS), and a scanning type.
  • Analytical instrument 4 further includes a photodiode array detector (LC-PDA), a liquid chromatography tandem mass spectrometer (LC / MS / MS), a gas chromatography tandem mass spectrometer (GC / MS / MS), and a liquid chromatograph. It may include a mass spectrometer (LC / MS-IT-TOF), a near-infrared spectroscope, a tensile tester, a compression tester, and the like.
  • the analysis system 100 has a plurality of types of analytical instruments 4 that output measurement results of different types from each other, so that one sample can be analyzed from multiple aspects using a plurality of types of measurement results.
  • the analysis device 4 is composed of a device body 5 and an information processing device 6.
  • the device main body 5 measures a sample to be measured.
  • the information processing apparatus 6 is input with sample identification information and sample measurement conditions.
  • the information processing device 6 controls the measurement in the device main body 5 according to the input measurement conditions. As a result, the device main body 5 acquires measurement data indicating the measurement result of the sample.
  • the information processing apparatus 6 creates a data file including measurement data acquired by the apparatus main body 5. Further, the information processing apparatus 6 extracts the "feature amount" of the sample by analyzing the measurement data using the dedicated data analysis software. This feature can be used for machine learning and the like.
  • the feature amount includes the calculated value obtained by performing arithmetic processing on the feature amount obtained from the measurement data, the measurement conditions, the physical property values of the sample, and the constituent materials of the sample. Formulation information and manufacturing processes can be included.
  • the information processing device 6 stores the acquired feature amount in a data file together with the measurement conditions and identification information of the sample, and stores this data file in the built-in memory. Specifically, the information processing apparatus stores in the memory a data file in which measurement conditions, sample identification information, measurement data, and feature quantities are aggregated for each sample.
  • the information processing apparatus 6 can include an "identifier" consisting of a character string in the file name of the data file. This identifier is used to identify information that is not directly involved in the measurement by the analytical instrument 4.
  • the identifier can be used to identify the preprocessing conditions of the sample.
  • the identifier can be used to identify the sample preparation date and time. According to this, the measurement data acquired by the same analytical instrument 4 can be identified by the pretreatment conditions of the sample and the like.
  • the information processing device 6 is connected to the server 2 so as to be able to communicate with each other.
  • the connection between the information processing device 6 and the server 2 may be wired or wireless.
  • the Internet can be used as a communication network connecting the information processing device 6 and the server 2.
  • the information processing device 6 of each analysis device 4 can transmit the data file for each sample to the server 2.
  • the server 2 is mainly a server for managing measurement data acquired by a plurality of analytical instruments 4.
  • a data file for each sample is input to the server 2 from each analytical instrument 4.
  • the "physical property value" of the sample can be input to the server 2 from the outside of the server 2.
  • the physical characteristic value of the sample is a value indicating the attribute of the sample obtained by other than the measurement by the analytical instrument 4.
  • the configuration in which the physical characteristic value of the sample is input to the server 2 is shown, but the physical characteristic value of the sample may be input to the analytical instrument 4.
  • the analysis device 4 transmits the physical property values together with the data file to the server 2 for each sample.
  • the physical property values of the sample may be input to the viewer 1 described later.
  • Database 3 is connected to server 2.
  • the database 3 is a storage unit for storing data exchanged between the server 2 and the plurality of analytical instruments 4 and data input from the outside of the server 2.
  • the database 3 is configured by a storage unit externally attached to the server 2, but the database 3 may be built in the server 2.
  • the server 2 acquires the sample data file and the physical property value
  • the server 2 associates the data file and the physical property value with each sample and stores them in the database 3.
  • Server 2 is connected to the Internet 7. Further, at least one viewer 1 is connected to the Internet 7. As a result, the viewer 1 can send and receive data to and from the server 2 via the Internet 7.
  • the communication network connecting the server 2 and the viewer 1 is not limited to the Internet 7.
  • the viewer 1 is configured to be able to display the measurement results and feature quantities of the sample selected as the display target by the user (for example, the operator). Specifically, when the viewer 1 accepts the user's selection of the display target, the viewer 1 accesses the server 2 via the Internet 7 to store the data of the sample selected as the display target stored in the database 3. Get the file. The viewer 1 displays the measurement result and the feature amount stored in the acquired data file on the display screen.
  • the viewer 1 can display the measurement results and feature quantities of the plurality of samples side by side on the display screen.
  • a display example in the viewer 1 will be described later.
  • FIG. 2 is a diagram schematically showing a hardware configuration example of the information processing device 6, the server 2, and the viewer 1.
  • the information processing device 6 includes a CPU (Central Processing Unit) 60 for controlling the entire analysis device 4, and a storage unit for storing programs and data, and operates according to the program. It is composed of.
  • CPU Central Processing Unit
  • the storage unit includes a ROM (Read Only Memory) 61, a RAM (Random Access Memory) 62, and an HDD (Hard Disk Drive) 65.
  • the ROM 61 can store a program executed by the CPU 60.
  • the RAM 62 can temporarily store data used during the execution of the program in the CPU 60, and can function as a temporary data memory used as a work area.
  • the HDD 65 is a non-volatile storage device, and can store information generated by the information processing device 6 such as a data file for each sample.
  • a semiconductor storage device such as a flash memory may be adopted.
  • the information processing device 6 further includes a communication interface (I / F) 66, an input unit 63, and a display unit 64.
  • the communication I / F 66 is an interface for the information processing device 6 to communicate with an external device including the device main body 5 and the server 2.
  • the input unit 63 receives an input including an instruction to the information processing apparatus 6 from a user (for example, an analyst).
  • the input unit 63 includes a keyboard, a mouse, a touch panel integrally configured with the display screen of the display unit 64, and the like, and receives measurement conditions and identification information of a sample.
  • the display unit 64 can display, for example, the input screen of the measurement conditions and the identification information of the sample. During the measurement, the display unit 64 can display the measurement data detected by the apparatus main body 5 and the data analysis result by the information processing apparatus 6.
  • the processing in the analysis device 4 is realized by the software executed by each hardware and the CPU 60.
  • Such software may be stored in the ROM 61 or the HDD 65 in advance. Further, the software may be stored in a storage medium (not shown) and distributed as a program product. Then, the software is read from the HDD 65 by the CPU 60 and stored in the RAM 62 in a format executable by the CPU 60. The CPU 60 executes this program.
  • the server 2 includes a CPU 20 for controlling the entire device and a storage unit for storing a program and data, and is configured to operate according to the program.
  • the storage unit includes a ROM 21, a RAM 22, and an HDD 25.
  • the ROM 21 can store a program executed by the CPU 20.
  • the RAM 22 can temporarily store data used during the execution of the program in the CPU 20, and can function as a temporary data memory used as a work area.
  • the HDD 25 is a non-volatile storage device and can store information transmitted from the information processing device 6.
  • the server 2 further includes a communication I / F 26, an input / output interface (I / O) 24, and an input unit 23.
  • the communication I / F 26 is an interface for the server 2 to communicate with an external device including the information processing device 6 and the viewer 1.
  • the I / O 24 is an interface for input to the server 2 or output from the server 2.
  • the I / O 24 is connected to the database 3.
  • the database 3 is a memory for accumulating data transmitted / received between the server 2 and the information processing device 6.
  • the input unit 23 receives an input including an instruction from a user (for example, the administrator of the analysis system 100).
  • the input unit 23 includes a keyboard, a mouse, and the like, and receives information and the like regarding the physical property values of the sample.
  • the viewer 1 includes a CPU 10 for controlling the entire device and a storage unit for storing a program and data, and is configured to operate according to the program.
  • the storage unit includes a ROM 11, a RAM 12, and an HDD 15.
  • the ROM 11 can store a program executed by the CPU 10.
  • the RAM 12 can temporarily store data used during the execution of the program in the CPU 10, and can function as a temporary data memory used as a work area.
  • the HDD 15 is a non-volatile storage device and can store information transmitted from the server 2.
  • the viewer 1 further includes a communication I / F 16, an input unit 13, and a display unit 14.
  • the communication I / F 16 is an interface for the viewer 1 to communicate with an external device including the server 2.
  • the input unit 13 receives an input including an instruction to the viewer 1 from a user (for example, an operator).
  • the input unit 13 includes a keyboard, a mouse, a touch panel integrated with the display screen of the display unit 14, and the like, and accepts selection of a display target and the like.
  • the display unit 14 can display a user interface such as an operation screen for selecting a display target.
  • the display unit 14 can further display measurement data such as a generated sample image.
  • the processing in the viewer 1 is realized by the software executed by each hardware and the CPU 10.
  • Such software may be stored in the ROM 11 or the HDD 15 in advance. Further, the software may be stored in a storage medium (not shown) and distributed as a program product. Then, the software is read from the HDD 15 by the CPU 10 and stored in the RAM 12 in a format executable by the CPU 10. The CPU 10 executes this program.
  • FIG. 3 is a diagram schematically showing the functional configurations of the information processing apparatus 6, the server 2, and the viewer 1.
  • the information processing apparatus 6 includes a data acquisition unit 67, a feature amount extraction unit 68, and an information acquisition unit 69. These functional configurations are realized by the CPU 60 executing a predetermined program in the information processing apparatus 6 shown in FIG.
  • the data acquisition unit 67 acquires measurement data indicating the measurement result of the sample from the device main body 5.
  • the measurement data includes a chromatogram and a mass spectrum.
  • the measurement data includes image data showing a microscope image of a sample.
  • the data acquisition unit 67 transfers the acquired measurement data to the feature quantity extraction unit 68.
  • the feature amount extraction unit 68 extracts the feature amount of the sample by analyzing the measurement data transferred from the data acquisition unit 67 using the dedicated data analysis software.
  • the feature amounts of the sample include, for example, the components contained in the sample, the particle size of the particles having the components, the peak intensity and peak area of the spectrum, the absorbance, the reflectance, Young's modulus, the tensile strength, the amount of deformation, the amount of strain, and the breaking time. Etc. are included.
  • the feature amount includes peak intensity, peak area and retention time (retention time).
  • the information acquisition unit 69 acquires the information received by the input unit 63. Specifically, the information acquisition unit 69 acquires sample identification information and information indicating sample measurement conditions.
  • the sample identification information includes, for example, a sample name, a name of a sample product, a model number, a serial number, and the like.
  • the measurement conditions of the sample include device parameters including the name and model number of the analytical instrument to be used, and measurement parameters indicating measurement conditions such as voltage and / or current application conditions or temperature conditions.
  • the communication I / F66 transmits the acquired measurement data, measurement conditions, sample identification information, and the extracted feature amount to the server 2 as a data file.
  • the server 2 has a data acquisition unit 27, a physical characteristic value acquisition unit 28, and a synthesis unit 29. These functional configurations are realized by the CPU 20 executing a predetermined program in the server 2 shown in FIG.
  • the data acquisition unit 27 acquires a data file transmitted from the information processing device 6 of each analysis device 4 via the communication I / F 26.
  • the physical characteristic value acquisition unit 28 acquires information indicating the physical characteristic value of the sample received by the input unit 23.
  • the physical characteristic value of the sample is a value indicating the attribute of the sample obtained by other than the measurement by the analytical instrument 4, and for example, a value indicating the performance of the sample or a value indicating the degree of deterioration of the sample (years of use, etc.) is used. included.
  • the synthesis unit 29 associates the data file (sample identification information, measurement conditions, measurement data and feature amount) of each analytical instrument 4 with the physical property value for each sample.
  • the synthesis unit 29 stores these data files associated with each sample in the database 3 via the I / O 24.
  • the server 2 stores the plurality of data files in a batch in the database 3 in association with the physical property values. As a result, at least one data file and physical property values are accumulated in the database 3 in sample units.
  • the viewer 1 has a storage unit 17 and a display control unit 18. These functional configurations are realized by the CPU 10 executing a predetermined program in the viewer 1 shown in FIG.
  • the storage unit 17 is configured to store the type of feature amount acquired from the measurement data of the analysis device 4 for each of the plurality of types of analysis devices 4.
  • the types of feature quantities include peak intensity, peak area, and holding time.
  • the analytical instrument 4 is a transmission electron microscope (TEM) and the measurement data is image data showing a microscope image of the sample
  • the type of feature amount includes the particle size of the particles contained in the sample.
  • the storage unit 17 corresponds to an embodiment of the “storage means”.
  • the display control unit 18 selects a target to be displayed on the display unit 14 according to a user instruction received by the input unit 13, and displays display data in a display format that can be displayed on the display screen of the display unit 14 based on the selected display target. Generate.
  • the display control unit 18 further generates a user interface for performing an operation for the user to select a display target.
  • the display control unit 18 includes a template creation unit 18A, a selection unit 18B, and a display data generation unit 18C.
  • the template creation unit 18A creates a screen for supporting the creation of a template (hereinafter, also referred to as a "template creation screen") as a user interface.
  • a template hereinafter, also referred to as a "template creation screen"
  • the "template” defines a set of types of features used for machine learning and the like.
  • the user can create a template in which the selected feature amount type is defined by selecting the feature amount type on the template creation screen.
  • the template creation screen can be used to create a template that defines a set of feature quantity types for each purpose and use of analysis. According to this, in the scene of analysis, the user can easily acquire the feature amount according to the purpose and use of the analysis by selecting the template suitable for the purpose and use of the analysis from a plurality of templates. Can be done.
  • the selection unit 18B selects a target to be displayed on the display screen of the display unit 14 according to the user instruction received by the input unit 13.
  • This selection of display targets includes selection of samples and selection of templates.
  • the selection unit 18B displays an operation screen for selecting a display target on the display screen of the display unit 14 as a user interface. Information indicating the contents of the data stored in the database 3 is displayed on this operation screen. The user can perform a selection operation using the input unit 13 on the operation screen.
  • the selection unit 18B has at least two or more samples analyzed by at least one analysis device 4 of the plurality of types of analysis devices 4 (see FIG. 1) according to a user's selection operation. Select a sample. The selection unit 18B further selects a template from a plurality of templates according to a user's selection operation.
  • the display data generation unit 18C acquires a sample data file selected as a display target from the database 3 by accessing the server 2 via the Internet 7.
  • the data file contains the measurement data of the sample by each analytical instrument 4, the measurement conditions thereof, the sample identification information, and the feature amount of the sample extracted from the measurement data.
  • the physical property values of the sample are associated with the data file.
  • the display data generation unit 18C extracts the measurement data of the analysis device 4 from the data file acquired from the database 3. Further, the display data generation unit 18C extracts the feature amount and the physical property value of the sample specified in the template selected by the selection unit 18B. The display data generation unit 18C generates display data in a display format that can be displayed on the display screen by using the extracted measurement data, the feature amount of the sample, and the physical property value.
  • the display control unit 18 displays the display data generated by the display data generation unit 18C on the display screen of the display unit 14.
  • the display control unit 18 can change the display format according to the user instruction.
  • the display control unit 18 corresponds to one embodiment of the "display control means" and the "registration means”.
  • FIG. 4 is a flowchart for explaining a template creation process in the viewer 1.
  • the program according to the flowchart of FIG. 4 is stored in ROM 11 of the viewer 1 in advance. Processing is realized by the CPU 10 executing the program.
  • the viewer 1 When the viewer 1 receives an instruction to start creating a template in the input unit 13, the viewer 1 starts the process shown in FIG.
  • the viewer 1 first displays the template creation screen on the display unit 14 in step S10.
  • 5 to 7 are views showing an example of a template creation screen.
  • the template creation screen can be created based on the data stored in the database 3.
  • the template creation screen has a first display area RGN1 and a second display area RGN2.
  • the first display area RGN1 is configured so that a plurality of tabs can be switched and displayed.
  • tabs 101 and 102 exist in the first display area RGN1.
  • the tab 101 is a tab (hereinafter, also referred to as a “property tab”) for setting the physical property value of the sample.
  • the tab 102 is a tab (hereinafter, also referred to as “calculated value tab”) for setting an calculated value obtained by performing arithmetic processing on one or a plurality of feature quantities.
  • the user can create and add a new tab in the first display area RGN1.
  • You can create tabs by following the steps below. First, when the user clicks the button 107 shown in the first display area RGN1, a screen for creating a tab is displayed in the first display area RGN1. On this screen, the user can set the device name of the analysis device 4, the identifier of the data file, and the name given to the tab to be created.
  • the data file identifier is an identifier included in the file name of the data file. As mentioned above, the identifier can be used to identify information that is not directly involved in the measurement by the analytical instrument 4.
  • the tab name can be set arbitrarily by the user. Note that the tab names are unique identification information in one template file, and there are no plurality of tabs with the same name in one template file.
  • the tab is added to the first display area RGN1.
  • the tab is given the name of the tab set when the tab was created.
  • a plurality of tabs 103 to 106 are added, and each tab is given the device name of the analytical instrument 4 set at the time of tab creation.
  • Each of the plurality of tabs 103 to 106 is configured to display the type of feature amount that can be acquired from the measurement data of the corresponding analytical instrument 4.
  • the tab 103 displays the type of feature amount obtained from the measurement data of the gas chromatograph device (GC).
  • the tab 104 displays the type of feature amount obtained from the measurement data of the liquid chromatograph device (LC).
  • the tab 105 displays the type of feature amount obtained from the measurement data of the gas chromatograph mass spectrometer (GC-MS).
  • the tab 106 displays the type of feature quantity obtained from the measurement data of the nuclear magnetic resonance apparatus (NMR).
  • the content of the clicked tab is displayed in the first display area RGN1.
  • the contents of the tab 105 are displayed in the first display area RGN1.
  • a text box 108 for designating the analysis device 4 On the tab 105, a text box 108 for designating the analysis device 4, a text box 109 for designating the identifier of the data file, and a text box 110 for designating the output items are displayed.
  • the tab 105 also displays text boxes 111, 114 and buttons 112, 113 for specifying compound names.
  • the device name "GCMS” of the analytical instrument 4 is shown in the text box 108, and the identifier "AE” is shown in the text box 109. These information are set by the user on the tab creation screen when the tab 105 is created.
  • the output item specifies the measurement result used for extracting the feature amount from the plurality of analysis results obtained by the set analysis device 4.
  • the user can input the type of the measurement result in the text box 110.
  • the "identification result table" is input to the text box 110.
  • a configuration may be configured in which the user can select a desired measurement result from a plurality of analysis results.
  • the tab 105 displays the types of features that can be acquired from the data file specified based on these three pieces of information (analytical instrument, identifier, output item).
  • the identifier is not essential, and the designation thereof may be omitted.
  • one tab displays the types of features that can be obtained from the data file identified based on the analytical instrument and output items.
  • a data file containing the identifier "AE" in the file name is extracted from a plurality of data files in which the measurement data of the gas chromatograph mass spectrometer (GC-MS) is stored. Then, the type of the feature amount that can be acquired from the identification result table stored in the extracted data file is displayed in the tab 105.
  • GC-MS gas chromatograph mass spectrometer
  • the compound name of the feature amount is specified in order to display the type of the feature amount that can be obtained from the identification result table.
  • the text box 114 is a user interface for specifying the compound name of the feature amount that can be obtained from the identification result table. The user can enter the compound name of the desired feature amount in the text box 111 and click the button 112 to write the compound name in the text box 114. In the example of FIG. 5, when the button 112 is clicked while "styrene" is input to the text box 111, "styrene" is written to the text box 114.
  • a compound list is acquired from a CSV (Comma Separated Values) data file or the like, and all compound names included in the compound list are collectively listed. Can be configured to be added to the text box 114.
  • CSV Common Separated Values
  • the compound list of the identification result table saved in advance in the analysis data file or the like is acquired, and all the compound names included in the compound list are collectively texted. It can be configured to be added to the box 114.
  • the acquired compound list is displayed in the first display area RGN1, and when the user selects a compound name from the displayed compound list, the selected compound name is displayed in the text box 114. It may be a configuration to be added to. According to this, it is possible to prevent the notation fluctuation of the compound name.
  • the user can select the desired compound name by clicking the desired compound name using the input unit 13.
  • the feature amount type 116 of the one compound name is displayed in the text box 115.
  • the feature amount type 116 corresponds to the feature amount type of the one compound name that can be obtained from the identification result table.
  • the text box 114 displays the type 116 of the styrene feature amount that can be obtained from the identification result table.
  • Check boxes 117 are arranged side by side in the type 116 of each feature amount.
  • the user can select the type of the feature amount by operating the first display area RGN1 using the input unit 13. Specifically, the user can select the type of the feature amount by checking the check box 117 arranged side by side in the type 116 of the feature amount displayed in the text box 115 (check mark in FIG. 5). can.
  • the selected feature amount type is displayed in the second display area RGN2.
  • the type of the feature amount selected in the first display area RGN1 is displayed in the format of list 123.
  • the list 123 two types of feature quantities of "GCMS_styrene m / z" and "GCMS_styrene peak area" are displayed.
  • the name of each feature amount may include the information of the tab 105 used for selecting the feature amount.
  • the name of each feature amount may include the name “GCMS” of the tab 105.
  • the name of each feature amount may include the device name and identifier of the analytical instrument 4 corresponding to the tab 105.
  • Check boxes 124 are arranged side by side in each feature amount type shown in the list 123. The user can set whether to display or hide the corresponding feature amount by checking the check box 124 (check mark in FIG. 5). According to this, some of the feature quantities used for machine learning and the like can be prevented from being displayed on the display unit 14. For example, features that are used to calculate calculated values in the calculated value tab 102, which will be described later, but do not need to be used in machine learning and do not need to be displayed, can be hidden. can.
  • the list 123 of the feature amount type created in the second display area RGN2 can be registered in the storage unit 17 as a template.
  • the user can give a unique name to the created template. Specifically, the user can enter a name for identifying the template in the text box 120 of the second display area RGN2.
  • the template can be given a name that allows the user to easily identify the contents of the template, for example, the purpose or purpose of analysis using the template. In the example of FIG. 5, the name "tire strength template” is given to indicate that the template is used for analyzing the strength of the tire as a sample.
  • the user can register the "tire strength template" in the storage unit 17 by clicking the button 121 shown in the second display area RGN2.
  • the template creation process described above can be summarized in the flowchart of FIG.
  • the viewer 1 when the viewer 1 accepts the user's input operation on the template creation screen, the viewer 1 creates a template according to the input operation in steps S11 to S17, and registers the created template in the storage unit 17 together with the name. ..
  • the display control unit 18 (template creation unit 18A) first displays the tab creation screen in step S11. It is displayed in the display area RGN1.
  • the display control unit 18 creates a tab with the set name and adds it to the first display area RGN1. ..
  • the display control unit 18 selects the clicked tab in step S12 and first displays it. Displayed in the area RGN1.
  • the display control unit 18 proceeds to step S13, and in this tab, displays the type 116 of the feature amount that can be acquired from the data file specified based on the analysis device 4, the identifier, and the output item in the text box 115.
  • step S13 the display control unit 18 attaches a check box 117 to each of the types of feature quantities that can be acquired, so that the types of each feature quantity can be selected and displayed.
  • step S14 when a check is input to the check box 117 attached to the type 116 of each feature amount by the user, the display control unit 18 selects the type of the feature amount to which the check is input in step S14. Proceeding to step S15, the display control unit 18 displays the selected feature amount type in the second display area RGN2 in the format of list 123. In step S15, the display control unit 18 can set display / non-display for each feature amount type by attaching a check box 124 to each feature amount type shown in the list 123.
  • step S16 When a check is entered in the check box 124 attached to each feature amount type shown in the list 123 by the user, the display control unit 18 proceeds to step S16 and displays each feature amount type according to the input. / Set to hide.
  • steps S12 to S16 is executed each time the user clicks any one of tabs 103 to 106. Finally, in the list 123, a list of the types of the feature amount selected for each tab is displayed.
  • step S17 when the button 121 is clicked by the user, the display control unit 18 stores the feature amount type list 123 created in the second display area RGN2 together with the name input in the text box 120. Register in department 17.
  • the first display area RGN1 that tabs the types of the feature amount for each type of the analysis device 4 and the second set of the feature amount types selected by the user are displayed.
  • the display area RGN2 is displayed side by side. According to this, the user can select the feature amount in the first display area RGN1 while checking the display contents of the second display area RGN2, so that the template can be easily created.
  • the information to be displayed in the first display area RGN1 differs between the analysis devices 4.
  • the user can select a feature amount by opening a tab that matches the purpose or use of the analysis.
  • the feature amount obtained from the measurement data of one type of analysis device 4 can be obtained.
  • the types can be subdivided and displayed. As a result, the type of the feature amount can be selected more easily, so that the creation of the template can be facilitated.
  • the tabs 103 to 106 are added.
  • a property tab 101 for setting the physical property value of the sample and a calculated value tab 102 for setting the calculated value obtained by performing arithmetic processing on one or a plurality of feature quantities are displayed.
  • the user can include the physical characteristic values and the calculated values of the desired sample in the template as the type of the feature amount.
  • the physical property values and calculated values of the sample can be used for analysis such as machine learning.
  • FIG. 6 shows a template creation screen when the property tab 101 is selected.
  • the property tab 101 displays text boxes 130, 131 and buttons 132 for setting the physical property values of the sample.
  • the text box 131 is a user interface for specifying the physical property value name of the sample.
  • the text box 130 is a user interface for writing the physical characteristic value name in the text box 131.
  • the user can input the physical characteristic value name in the text box 130 by using the input unit 13.
  • "high temperature tan ⁇ " dynamic loss coefficient at high temperature (around 60 ° C.)
  • the button 132 is clicked in this state, the entered physical characteristic value name is written in the text box 131.
  • the physical characteristic value list is acquired from the CSV data file or the like, and all the physical characteristic value names included in the list are collectively entered in the text box 131. Can be configured to add to.
  • the "Batch setting" button 133 when the "Batch setting" button 133 is clicked, the physical characteristic value list stored in advance in the physical characteristic value measurement data file or the like is acquired, and all the compound names included in the list are collectively entered in the text box 131. It can be configured to be added to.
  • the physical characteristic value name of the sample written in the text box 131 by the above processing is simultaneously added to the list 123 of the feature amount type shown in the second display area RGN2.
  • "high temperature tan ⁇ ", "resin blending amount” and “Tg (glass transition temperature of tire)” are input to the text box 131.
  • "property_high temperature tan ⁇ ”, "property_resin blending amount” and "property_Tg” are added to the list 123 of the second display region RGN2.
  • the name of each physical property value may include information (for example, a property) indicating that the name is a sample physical property value.
  • check boxes 124 are arranged side by side for each physical characteristic value, as in the case of the type of feature amount. The user can set whether to display or hide the corresponding physical characteristic value by checking the check box 124 (check mark in FIG. 6).
  • FIG. 7 shows a template creation screen when the calculation value tab 102 is selected.
  • the calculated value tab 102 displays text boxes 140 to 142 for setting calculated values, buttons 143, and a setting tool 144.
  • the text box 140 is a text box for setting the name of the calculated value
  • the text box 141 is a text box for setting the calculation formula for deriving the calculated value.
  • the user can set the calculation formula using the setting tool 144.
  • the setting tool 144 includes a type of feature amount (including a physical property value) displayed in the list 123 of the second display area RGN2 and an icon 145 indicating an operation symbol (for example, +,-, /, ⁇ , etc.). include.
  • the user can create a calculation formula by selecting the type of the feature amount and the calculation symbol using the input unit 13.
  • the calculated value "ratio X" written in the text box 142 is simultaneously added to the list 123 of the feature amount type of the second display area RGN2.
  • “calculated value_ratio X” is added to the list 123.
  • the name of the calculated value may include information (for example, the calculated value) indicating that the calculated value is an calculated value.
  • Feature quantity sorting function The list 123 displayed in the second display area RGN2 of the template creation screen (see FIGS. 5 to 7) can change the order of the feature quantity types. It is composed. Specifically, the user performs a movement operation (drag and drop) in a state where one feature amount type is selected by using the input unit 13 to change the order of arrangement suitable for the purpose or use of the analysis. Can be done.
  • the list 123 is configured so that a plurality of feature types can be grouped. Users can group by performing a movement operation (drag and drop) of each feature amount type using the input unit 13. Alternatively, the CPU 10 of the viewer 1 may be grouped according to a predetermined rule.
  • the types of a plurality of features input in the list 123 can be classified into explanatory variables and objective variables in machine learning.
  • the types of a plurality of feature quantities can be classified into feature quantities based on measurement conditions, feature quantities based on measurement results, and feature quantities based on physical property values.
  • FIG. 8 is a flowchart for explaining the display process in the viewer 1.
  • the program according to the flowchart of FIG. 8 is stored in ROM 11 of the viewer 1 in advance. Processing is realized by the CPU 10 executing the program.
  • the viewer 1 When the viewer 1 receives an instruction to start the display operation in the input unit 13, the viewer 1 starts the display process shown in FIG. First, the viewer 1 displays an operation screen for selecting a display target on the display unit 14 as a user interface in step S20.
  • 9 and 10 are views showing an example of an operation screen.
  • the operation screen can be generated based on the data stored in the database 3.
  • the icons 152 and 154 for the selection operation and the icon 155 for the display operation are displayed.
  • the sample selection operation screen shown in FIG. 9 is displayed.
  • a list of samples analyzed by any of the plurality of types of analytical instruments 4 is displayed in a table format.
  • the sample names (Sample01 to Sample04) of the four samples are displayed.
  • the product name or lot number of the sample may be displayed in the sample identification information. In the following description, it is assumed that the four samples are tires.
  • the user can narrow down the number of samples displayed in the display area 160 by operating the operation screen of FIG. 9 using the input unit 13. can.
  • the user can narrow down the number of samples by using the type of analytical instrument as a clue.
  • an icon 163 for narrowing down the number of samples is arranged in the display area 162 of the operation screen.
  • the icon 163 shows a list of types of the plurality of types of analytical instruments 4.
  • the user can select the analysis device 4 by clicking the analysis device 4 corresponding to the measurement data to be displayed. At this time, the user can select two or more analytical instruments 4 at the same time. Further, by clicking "all" in the icon 163, all of the plurality of types of analytical instruments 4 can be selected.
  • the analytical instrument 4 is selected by the icon 163, the samples measured by the selected analytical instrument 4 are extracted in the display area 160, and the list of the extracted samples is displayed in the form of a table. Become.
  • the type of at least one analytical instrument 4 used for the measurement is also displayed for each sample.
  • the sample having the sample name "Sample01” LC, GC-MS, and TEM are shown as the analytical instrument 4 used for the measurement.
  • LC, GC-MS, and TEM are shown as the analytical instrument 4 used for the measurement.
  • sample with the sample name "Sample02” GC-MS and TEM are shown.
  • the attribute value for each sample is displayed in the display area 164 of the operation screen.
  • the attribute value of the sample includes the physical property value of the sample.
  • the Tg of the tire and the high temperature tan ⁇ are displayed as the physical property values of the sample. Since the physical property value is an attribute value given from the outside of the analysis system 100, it may not have the physical property value depending on the sample. In addition, the types of physical property values may differ between samples.
  • samples can be selected by checking the check boxes arranged side by side in each sample name (check marks in FIG. 9).
  • the operation screen for feature amount selection shown in FIG. 10 is displayed on the display unit 14.
  • a list of a plurality of templates created by the above template creation process is displayed in the area 166 of the operation screen for selecting the feature amount.
  • a total of five templates are displayed in the form of icons. Each icon shows the name of the corresponding template.
  • an image 172 showing the contents of the tire strength template is displayed on the operation screen.
  • a list 123 of the feature quantity types created by using the template creation screen is displayed.
  • the sample (see FIG. 9) and the template (see FIG. 10) to be displayed are displayed according to the selection operation in steps S21 to S23. Select.
  • step S24 to generate display data. Specifically, the viewer 1 acquires the data file of the sample selected in step S23 from the database 3 by accessing the server 2 via the Internet 7.
  • the viewer 1 extracts the feature amount and the physical property value specified in the template selected in step S23 from the acquired data file for each sample. Viewer 1 generates display data based on these extracted data in step S25.
  • FIG. 11 is a diagram schematically showing an example of a display screen of the viewer 1.
  • the viewer 1 is configured so that the display format of the display data can be switched according to the user's instruction.
  • the display area is set for each sample selected as the display target. Specifically, the display area 181 is set for the sample with the sample name "Sample01", the display area 182 is set for the sample with the sample name "Sample02", and the display area is set for the sample with the sample "Sample03". 183 is set.
  • a plurality of display areas 181, 182, 183 corresponding to the plurality of samples Sample01 to Sample03 are listed.
  • the plurality of display areas 181 to 183 as a whole constitute a "list display area” for displaying a list of display areas for each sample.
  • the user can scroll and display the plurality of display areas 181 to 183 displayed in the list display area in the vertical direction (corresponding to the vertical direction on the paper).
  • the sample identification information, the measurement data of the analysis device 4, and the attribute values (feature amount and physical property value) of the sample are collectively displayed.
  • the sample name “Sample 01” which is the sample identification information, the chromatogram 190 which is the measurement data, and the list 186 which summarizes the feature amount and the physical property value are displayed.
  • a plurality of chromatograms 190 can be scrolled and displayed in the vertical direction. Measurement conditions such as intensity and time can be written together in each chromatogram.
  • the cursor 192 in the display area 181 is clicked to scroll the chromatogram 190, the chromatograms displayed in the other display areas 182 and 183 also follow the chromatogram 190 in the display area 161. It can be configured to be scrolled like this.
  • List 186 is a list 123 in the template selected on the operation screen of FIG. 10 in which the feature amount and the physical property value of the sample are entered.
  • the feature amount and the physical property value can be classified and displayed. The user can simultaneously refer to the measurement data by the analytical instrument 4 and the attribute values (feature amount and physical property value) for one sample. However, the feature amount and the physical property value (styrene m / z and the ratio X in the example of FIG. 10) set to be hidden in the list 123 of the tire strength template are not displayed in the list 186.
  • the display area 181 are icons 201 to 204 for switching the measurement data displayed in each display area.
  • the icons 201 to 204 correspond to SEM images, TEM images, mass spectra (MS), and chromatograms, respectively. In the example of FIG. 11, it is assumed that a chromatogram is displayed in each display area in response to the user clicking the icon 204.
  • the display of the icons 201 to 204 is not limited to this, and can be appropriately changed so as to correspond to the analysis data of the analysis device 4 selected as the display target.
  • the display of the icon 201 can be omitted.
  • an icon 205 for a filter for selecting the measurement data displayed in each display area is arranged.
  • the icon 205 can be used to select the measurement result to be displayed in the display area when the measurement data includes a plurality of measurement results.
  • the display area 182 and the display area 183 have the same configuration as the display area 183. That is, on the display screen, measurement data of the same type, feature quantities of the same type, and physical property values are displayed side by side for a plurality of samples to be displayed. According to this, the user can compare and refer to the same type of measurement data among a plurality of samples. In addition, the user can compare and refer to the same type of feature amount and physical property value among a plurality of samples.
  • the viewer 1 displays the display data on the display screen of the display unit 14 in step S25, then proceeds to step S26, and whether or not the input unit 13 has received the user instruction for changing the display format.
  • the input unit 13 has received the user instruction for changing the display format.
  • icons icons 201 to 205, etc.
  • the user can switch the display format by clicking these icons.
  • the input unit 13 receives the user instruction for changing the display format (YES in S26)
  • the viewer 1 returns to the process of step S24 and changes the display data according to the user instruction.
  • the viewer 1 displays the changed display data on the display screen of the display unit 14 in step S26.
  • the viewer 1 also determines in step S27 whether or not the input unit 13 has accepted the user instruction for changing the display target.
  • the icon 152 for selecting the display target and the icon 154 for selecting the feature amount are displayed on the display screen.
  • the display unit 14 switches from the display screen of FIG. 11 to the operation screen for sample selection shown in FIG.
  • the user can perform a selection operation for changing the sample to be displayed on the operation screen.
  • the display screen of FIG. 11 when the user clicks the icon 154, the display screen of FIG. 11 is switched to the operation screen for feature amount selection shown in FIG.
  • the user can change the feature amount and the physical property value to be displayed by performing a selection operation for changing the template on the operation screen.
  • the viewer 1 When the input unit 13 receives the user instruction (clicking the icons 152 and 154) for changing the display target (YES in S28), the viewer 1 returns to the process of step S20, and the display unit 14 shows FIG. 9 or The operation screen of FIG. 10 is displayed.
  • the viewer 1 receives the user's selection operation, the viewer 1 selects the sample, the feature amount, and the physical property value to be displayed after the change by executing the processes of steps S22 to S24 again.
  • the viewer 1 When the viewer 1 generates the display data in step S24, the viewer 1 displays the generated display data on the display screen of the display unit 14 in step S25.
  • the viewer 1 it is possible to display a plurality of measurement results associated with one sample.
  • the feature amount of the sample can be displayed together with the measurement result.
  • the user can refer to the measurement result and the feature amount at the same time for each sample.
  • the user can change the template to be used to use the feature amount for analysis such as machine learning. Can be changed freely.
  • the viewer 1 can improve the convenience of the user who analyzes the measurement results by the plurality of types of analysis devices 4. This makes it possible to facilitate cross-sectional analysis of measurement results by a plurality of types of analysis devices 4, and thus contributes to the realization of efficient and highly accurate analysis.
  • the viewer for complex measurement analysis is stored in a storage means for storing each of a plurality of types of analytical instruments and a storage means for storing the types of features obtained from the measurement results of the analytical instruments.
  • a display control means for displaying the types of the feature amount on the display screen so as to be selectable, and a registration means for registering a set of the feature amount types selected by the operator among the feature amount types with a name. To prepare for.
  • the display control means arranges the first display area for displaying the types of the feature amount in tabs for each type of the analytical instrument and the second display area for displaying the set of the types of the feature amount selected by the operator on the display screen. indicate.
  • the display screen has a first display area for displaying tabs of the types of features for each type of analytical instrument, and the types of features selected by the operator. Since the second display area for displaying the set is displayed side by side, the operator can select the feature amount in the first display area while checking the contents of the second display area. Further, by providing the tab for each analysis device in the first display area, the operator can open the tab suitable for the purpose or use of the analysis and select the feature amount. As a result, the operator can easily create a template which is a set of feature quantity types.
  • the types of features obtained from the measurement results of one type of analytical instrument are subdivided into tabs. Can be displayed. As a result, the operator can more easily select the type of the feature amount, which facilitates the creation of the template.
  • the display control means displays the name of the feature amount type selected by the operator in the second display area in the form of a list. do.
  • the operator can easily confirm the selected feature amount type from the list displayed in the second display area, so that the feature amount type selection work can proceed smoothly.
  • the display control means displays and does not display on the display screen for each type of the feature amount displayed in the list in the second display area. Display more icons for setting the display.
  • the operator is used to calculate the calculated value among the selected feature types, for example, but the feature amount itself does not need to be used in machine learning and does not need to be displayed. Can be hidden.
  • the display control means groups a plurality of types of feature quantities displayed in the second display area.
  • the display control means is configured to be able to change the order of the types of the plurality of features displayed in the second display area.
  • the user can display a plurality of feature quantities in order of priority according to the purpose or use of the analysis.
  • the display control means sets the type of the physical property value of the sample obtained from information other than the measurement result in the first display area. Show more tabs.
  • the physical characteristic value of the desired sample can be included in the template as the type of the feature amount, the physical characteristic value can be displayed and used for machine learning.
  • the display control means sets the calculated value calculated by using one or a plurality of feature quantities in the first display area. Show more tabs.
  • the calculated value can be included in the template as the type of feature amount, the calculated value can be displayed and used for machine learning.
  • the plurality of types of analytical instruments include at least one of a liquid chromatograph, a gas chromatograph, a liquid chromatograph mass spectrometer and a gas chromatograph mass spectrometer. Including one.
  • the types of features stored in the storage means include at least one of the retention time and the peak area of the chromatogram.
  • the computer can provide a user interface that facilitates cross-sectional analysis of measurement results by multiple types of analytical instruments.

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JP2023124605A (ja) * 2022-02-25 2023-09-06 株式会社島津製作所 分取液体クロマトグラフ装置及び分取条件決定支援方法

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