Setting method and setting device

Abstract

The invention provides a setting method and a setting device, which can easily set an identification method for each of a plurality of components. A processor of a setting device acquires a plurality of pieces of peak information corresponding to each of a plurality of components obtained from a reference chromatogram obtained by performing chromatographic analysis on a sample containing the plurality of components. Determining whether or not one component among the plurality of components can be distinguished from other components other than the one component on the basis of a value of a first peak parameter indicating a characteristic of a peak included in each piece of peak information; a first identification method based on a first peak parameter is set as an identification method for a component that can be distinguished from other components on the basis of the first peak parameter among the plurality of components. An identification method for a component that cannot be distinguished from another component on the basis of the first peak parameter among the plurality of components is set to another identification method different from the first identification method.

Description

Technical Field

[0001] The present disclosure relates to a setting method and a setting device executed by a computer, which are used to set an identification method for each of a plurality of components. Background Art

[0002] Japanese Patent Laid-Open No. 2023-4872 discloses a data processing system capable of automatically associating peaks between multiple chromatograms obtained by performing chromatographic analysis on the same sample under multiple different analysis conditions. In the data processing system of Patent Document 1, one of the multiple chromatograms is used as a reference chromatogram, and the peak parameters of each peak (i.e., each component) contained in the reference chromatogram are used to associate each peak contained in the other chromatograms with each peak contained in the reference chromatogram. Summary of the invention

[0003] According to the data processing system disclosed in Patent Document 1, it can be said that for each component corresponding to each of the multiple peaks in the reference chromatogram, the corresponding peak in the other chromatogram is identified. In order to automatically identify the multiple peaks corresponding to each of the multiple components, it is necessary to set an identification method such as how to establish a specific association for each component based on information such as the peak area, peak height, and peak position that constitute the peak corresponding to each component (hereinafter referred to as "peak information").

[0004] When the identification method is changed, the identification result also changes, so in order to obtain a correct identification result, it is necessary to set an appropriate identification method. However, in order to set an appropriate identification method, repeated trials are sometimes required, which becomes a burden on the user.

[0005] The present disclosure is made to solve the above-mentioned problems, and one of its objects is to easily set an identification method for each of a plurality of components.

[0006] The setting method disclosed in the present invention is executed by a computer and is used to set an identification method for each of a plurality of components. According to the following identification method, that is, an identification method for setting each of a plurality of components based on a plurality of peak information corresponding to each of a plurality of components obtained from a reference chromatogram obtained by chromatographic analysis of a sample containing a plurality of components, the plurality of target peaks corresponding to each of the plurality of components are identified by determining for each component whether the component corresponds to one of a plurality of target peaks contained in a target chromatogram of the identification object. The setting method of the identification method includes the following steps: obtaining a plurality of peak information; determining whether one of the plurality of components can be distinguished from other components other than the one component based on the value of a first peak parameter representing the characteristics of the peak contained in each peak information; setting the identification method of a component that can be distinguished from other components based on the first peak parameter to a first identification method based on the first peak parameter; and setting the identification method of a component that cannot be distinguished from other components based on the first peak parameter to another identification method different from the first identification method.

[0007] The setting device disclosed in the present invention is a setting device for setting an identification method for each of a plurality of components. According to the following identification method, that is, an identification method for each of a plurality of components is set based on a plurality of peak information corresponding to each of the plurality of components obtained from a reference chromatogram obtained by chromatographic analysis of a sample containing a plurality of components, by determining for each component whether the component corresponds to one of a plurality of target peaks contained in a target chromatogram of the identification object, the plurality of target peaks corresponding to each of the plurality of components are identified. The setting device for the identification method includes: a processor; and a memory storing a program executable by the processor. The processor obtains a plurality of peak information, and determines whether one of the plurality of components can be distinguished from other components other than the one component based on the value of a first peak parameter representing the characteristics of the peak contained in each peak information, sets the identification method of the component that can be distinguished from other components based on the first peak parameter to a first identification method based on the first peak parameter, and sets the identification method of the component that cannot be distinguished from other components based on the first peak parameter to another identification method different from the first identification method.

[0008] The above and other objects, features, aspects and advantages of the present invention will become more apparent from the following detailed description related to the present invention when taken in conjunction with the accompanying drawings. BRIEF DESCRIPTION OF THE DRAWINGS

[0009] Figure 1 This is a block diagram showing the schematic structure of a chromatography system.

[0010] Figure 2This is a flowchart showing a part of the setting process.

[0011] Figure 3 is a flowchart showing the remainder of the setup process.

[0012] Figure 4 This is a diagram showing an example of a reference chromatogram.

[0013] Figure 5 This is a diagram schematically showing an example of the data structure of setting information.

[0014] Figure 6 This is a diagram showing an example of a setting screen displayed on the display.

[0015] Figure 7 is a flow chart showing a portion of the identification process.

[0016] Figure 8 is a flow chart showing the remainder of the identification process.

[0017] Fig. 9 This is a diagram showing an example of the identification result. DETAILED DESCRIPTION

[0018] Hereinafter, the embodiments of the present disclosure will be described in detail with reference to the accompanying drawings. In addition, the same or corresponding parts in the drawings are marked with the same symbols, and their description will not be repeated.

[0019] [Chromatographic system]

[0020] Figure 1 1 is a block diagram showing a schematic structure of a chromatography system. The chromatography system 1 includes an analysis device 10, a computer 20, a display 30, and an input device 40. The analysis device 10 is configured to be able to communicate with the computer 20. The computer 20 is configured to be able to obtain analysis results and the like produced by the analysis device 10. The computer 20 notifies the user of information and the like for setting analysis conditions for analyzing the obtained analysis results via the display 30. The computer 20 receives input of analysis conditions and the like via the input device 40, and analyzes the analysis results sent from the analysis device 10 according to the received analysis conditions.

[0021] The analysis device 10 includes a chromatograph 12, a detector 14, and a control device 16. The chromatograph 12 is, for example, a separation device such as a liquid chromatograph or a gas chromatograph. The detector 14 is a device for detecting each component separated by the chromatograph 12, and includes, for example, a photodiode array (PDA) detector, an ultraviolet visible detector, a fluorescence detector, a differential refractive index detector, a conductivity detector, an electrochemical detector, an evaporative light scattering detector, or a mass spectrometer.

[0022] The control device 16 processes the detection results of the detector 14 and controls the entirety of the analysis device 10 including the chromatograph 12 and the detector 14. The control device 16 produces a chromatogram based on the detection results sent from the detector 14, performs peak detection based on the chromatogram, and extracts information constituting the peak (hereinafter referred to as "peak information") for each peak observed on the chromatogram. "Peak information" includes values ​​of various peak parameters such as peak area, peak height, and peak position (holding time, wavelength, m / z, etc.). The control device 16 stores the analysis data including the produced chromatogram and the peak information extracted from the chromatogram in a storage device. In addition, the storage device may be a storage device included in the control device 16, or a storage device included in an external processing device configured to be able to communicate with the control device 16.

[0023] The chromatogram produced by the control device 16 includes at least one of a two-dimensional chromatogram and a three-dimensional chromatogram. A two-dimensional chromatogram is a chromatogram that shows the detection intensity relative to the retention time axis. A three-dimensional chromatogram is a chromatogram that shows the detection intensity relative to the dual axis of the retention time axis and the wavelength axis or the m / z axis. The type of the produced chromatogram is determined according to the type of the detector 14.

[0024] The computer 20 is an example of a setting device for executing a "setting process" for setting an identification method for each of the plurality of components, and an example of a processing device for executing an "identification process" for identifying a peak in a chromatogram corresponding to each of the plurality of components. In addition, the processing device and the setting device may be implemented by different devices.

[0025] "Identification processing" is the following processing: according to the peak information obtained for each component and the identification method set for each component, it is determined whether the component corresponds to one of the multiple peaks (hereinafter also referred to as "object peak") in the chromatogram of the identification object (hereinafter also referred to as "object chromatogram"), thereby identifying the peak in the object chromatogram corresponding to the component.

[0026] The computer 20 includes a processor 22, a memory 24, and an input / output I / F (interface) 26. Each unit in the computer 20 is configured to be able to communicate in various ways via a bus.

[0027] The processor 22 is typically a central processing unit (CPU) or a microprocessor (MPU) or other computing unit. The processor 22 controls the operation of the computer 20 by reading and executing a program stored in the memory 24. The program is executed by the processor 22, so that the computer 20 performs an identification process for correlating component peaks appearing in a plurality of chromatograms with each other and a setting process for setting an identification method in the identification process.

[0028] The memory 24 is implemented by a storage device such as a read-only memory (ROM), a random access memory (RAM), and a hard disk drive (HDD). The ROM stores the program executed by the processor 22. The RAM temporarily stores the data used by the processor 22 in the process of executing the program, and functions as a temporary data storage used as a work area. The HDD is a non-volatile storage device. In addition to the HDD, or instead of the HDD, a semiconductor storage device such as a flash memory may also be used. In addition, the program and / or data may also be stored in an external storage device accessible to the processor 22.

[0029] The input / output I / F 26 is an interface for exchanging various data between the processor 22 and external devices connected to the input / output I / F 26. The external devices include a display 30, an input device 40, and an analysis device 10. For example, the computer 20 acquires data of a chromatogram created by the control device 16, data related to analysis conditions of the chromatogram, data indicating the type of the detector 14, and the like via the input / output I / F 26.

[0030] The display 30 is an example of a notification unit that notifies the user of predetermined information. For example, the display 30 displays a chromatogram created by the control device 16, a result of the identification process, a setting screen for setting related conditions in the identification process, and setting contents as a result of the setting process.

[0031] The input device 40 typically includes a touch screen, a keyboard, a mouse, etc. The input device 40 receives an input operation from a user to the processor 22. As an example, the input device 40 is used to input a correlation condition.

[0032] In order to explore analytical conditions suitable for samples, users sometimes change analytical conditions for the same sample to perform analysis. For example, users change the type of mobile phase, the type of stationary phase, the flow rate of the mobile phase, the conditions of gradient analysis, etc. to perform analysis. By performing identification processing on each of the multiple chromatograms obtained by changing the analytical conditions, the peaks appearing in the multiple chromatograms can be correlated with each other, and the user can relatively evaluate each peak and explore the analytical conditions.

[0033] The computer 20 is configured to acquire a plurality of analysis data obtained by analyzing the same sample under a plurality of mutually different analysis conditions. The plurality of analysis data obtained by analyzing the same sample under a plurality of mutually different analysis conditions are stored in a storage device as a set of data sets. The storage device may be a memory 24 included in the computer 20, or may be a storage device included in an external processing device (e.g., the control device 16) configured to be able to communicate with the computer 20.

[0034] [Setting Process]

[0035] The computer 20 performs an identification process for identifying the peaks corresponding to the components and a setting process for setting the identification method for each component. In the present embodiment, the so-called "identification process" refers to a process automatically performed by the computer 20 according to the identification method set in the setting process. In addition, the so-called "setting process" refers to a process in which the computer 20 automatically sets the identification method for each component according to a predetermined condition.

[0036] Figure 2 This is a flowchart showing a part of the setting process. Figure 3 is a flowchart showing the remainder of the setup process. Figure 2 , Figure 3 The processing steps shown (hereinafter, referred to as "S") are implemented by the processor 22 executing a program stored in the memory 24. As an example, the setting process is executed when a start operation of automatically setting the identification process conditions is received via the input device 40.

[0037] For example, when the user performs identification processing on each of a plurality of chromatograms obtained by changing analysis conditions for the same sample, the user operates the input device 40 to perform setting processing before performing the identification processing.

[0038] In S10, the computer 20 obtains a plurality of peak information corresponding to each of the plurality of components contained in the sample as the analysis object. In the present embodiment, the computer 20 selects one of the plurality of analysis data, i.e., analysis data in the chromatogram, which is stored in the storage device as a set of data sets, and obtains a plurality of peak information from the selected analysis data. One analysis data may be selected by the user or by the computer 20 according to predetermined conditions. The peak information obtained includes values ​​of various peak parameters such as peak area, peak height, and peak position (retention time (for example, peak numbers assigned in order from early to late according to elution time), wavelength, m / z, etc.). In addition, hereinafter, the chromatogram that is the extraction source of the peak information obtained in S10 is sometimes referred to as a "reference chromatogram".

[0039] In addition, multiple peak information can also be extracted from a chromatogram obtained by actually performing chromatographic analysis on a standard sample made by imitating the sample instead of the sample to be analyzed. For example, in a case where it is presumed that the sample to be analyzed contains component 1 and component 2, the "standard sample" is made by mixing the component 1 and component 2. In addition, multiple peak information is not limited to the chromatogram made by the analysis device 10, and can also be extracted from a chromatogram made by an analysis device different from the analysis device 10. The analysis device different from the analysis device 10 is preferably a device having a structure similar to that of the analysis device 10 (for example, a common structure such as the type of stationary phase and the type of detector).

[0040] In S12, the computer 20 determines whether the following judgment has been made: whether a predetermined identification method (hereinafter referred to as "first identification method") can be set for all components. If it is determined that the judgment has been made (YES in S12), the computer 20 proceeds to the process Figure 3 When it is determined that no determination has been made (NO in S12), the computer 20 advances the process to S14.

[0041] Although described later, the first identification method is an identification method based on a predetermined peak parameter (hereinafter also referred to as a "first priority peak parameter") among one or more parameters (hereinafter also referred to as "peak parameters") representing the characteristics of the peak.

[0042] In S14, the computer 20 selects one component that has not been judged, and sets the selected one component as the target component. For example, the computer 20 selects the target component in the order of peak numbers.

[0043] In S16 , the computer 20 determines whether the target component can be distinguished from other components based on the first priority peak parameter.

[0044] The first priority peak parameter is a peak parameter that can be appropriately selected by a business operator or user who provides the chromatography system 1 from one or more peak parameters that can be extracted from the peak and is considered to best represent the peak characteristics.

[0045] Peak parameters include, for example, the m / z of the base peak, a spectrum (mass spectrum, PDA spectrum, etc.), a peak area ratio, or a peak height ratio. The so-called m / z of the base peak is a peak parameter that can be extracted when the detector 14 is a mass spectrometer, and refers to the m / z of the mass peak with the largest detection intensity in each mass spectrum obtained for each elution time. The so-called peak area ratio refers to the ratio of the peak area of ​​the target peak to the total area of ​​all peaks appearing on the same chromatogram. The so-called peak height ratio refers to the ratio of the peak height of the target component peak to the total height of all component peaks appearing on the same chromatogram.

[0046] As to whether the object component can be distinguished from other components based on the peak parameters, as an example, it can be determined in the following manner. For example, when determining whether it can be distinguished based on the m / z of the base peak, the peak area ratio or the peak height ratio, the computer 20 compares the value of the peak parameter of the peak of the object component with the values ​​of the peak parameters of the peaks of other components other than the object component. The computer 20 determines whether there is a component peak whose difference with the value of the peak parameter of the peak of the object component is smaller than a predetermined threshold value (hereinafter also referred to as the "first threshold value"), and determines that it cannot be distinguished if it exists, and determines that it can be distinguished if it does not exist. The first threshold is appropriately set by the operator or user providing the chromatography system 1 according to the resolution of the detector 14, etc.

[0047] In addition, when determining whether the spectrum can be distinguished based on the spectrum (e.g., PDA spectrum, mass spectrum), the computer 20 compares the spectrum corresponding to the peak of the target component with the spectrum corresponding to the peak of the component other than the target component. The computer 20 determines whether there is a spectrum whose similarity with the spectrum corresponding to the target component is greater than a predetermined threshold value (hereinafter also referred to as "second threshold value"), and determines that it cannot be distinguished if it exists, and determines that it can be distinguished if it does not exist. The second threshold value is appropriately set by the operator or user who provides the chromatography system 1 according to the resolution of the detector 14, etc.

[0048] When the computer 20 determines that the discrimination is possible (YES in S16 ), the computer 20 sets the identification method of the target component to the first identification method based on the first priority peak parameter in S18 , and proceeds to S12 .

[0049] In the case of performing identification processing based on peak parameters, identification is performed as follows. As an example, when the m / z of the base peak is set as the peak parameter, the computer 20 sets the m / z of the base peak of the peak of the target component and a predetermined threshold value (hereinafter, also referred to as the "third threshold value") as the identification condition for one component. In the identification processing, the computer 20 retrieves the target peak having an m / z within the set m / z±third threshold value from the target chromatogram, and identifies the target peak as the target peak corresponding to the one component. In addition, the first threshold value set for determining whether the components in the reference chromatogram can be distinguished from each other and the third threshold value set for identifying the corresponding components according to the target chromatogram may be the same value, or may be different values. Alternatively, the peak of the target component that is most similar to the m / z of the base peak may be simply identified as the target peak corresponding to the one component.

[0050] In addition, as an example, in the case of setting a spectrum as a peak parameter for a component, the computer 20 sets a spectrum corresponding to the peak of a component and a threshold value of similarity with the spectrum (hereinafter also referred to as the "fourth threshold value") as identification conditions for the component. In the identification process, the computer 20 retrieves an object peak having a spectrum with a similarity of more than the fourth threshold value to the spectrum corresponding to the peak of a component from the object chromatogram, and identifies the object peak as the object peak corresponding to the component. In addition, the second threshold value set for determining whether the components in the reference chromatogram can be distinguished from each other and the fourth threshold value set for identifying the corresponding component based on the object chromatogram may be the same value, or may be different values. Alternatively, the peak of the object component that is most similar to the spectrum of the base peak may be simply identified as the object peak corresponding to the component.

[0051] On the other hand, when the computer 20 determines that it is impossible to distinguish (No in S16), in S19, it is determined that the first identification method cannot be set for the target component, and finally sets the setting order of the target component, and the process proceeds to S12. In addition, the so-called setting order is the order in which the identification method is set in the setting process, specifically, it refers to the order in which the target component is set in S14 and S24. In addition, in the present embodiment, the computer 20 sets the identification order in the identification process (the order in which each component is identified) according to the order in which the identification method is set.

[0052] The computer 20 repeatedly performs the processing of S14 to S19 until the judgment of whether all components can be identified by the first identification method is completed. When the judgment is completed (Yes in S12), the processing proceeds to Figure 3 S20 shown.

[0053] In S20, the computer 20 determines whether the identification method is set for all components. If it is determined that it is set (Yes in S20), the computer 20 ends the setting process. The determination that the identification method is set for all components in S20 means that the first identification method is set for all components. In addition, when the processes of S14 to S19 are performed according to the peak number (elution order), the identification order is the elution order.

[0054] If it is determined that it is not set (No in S20), the computer 20 advances the process to S22. The identification method in which at least one component is not set in S20 means that it is determined that at least one component cannot be distinguished from other components based on the first priority peak parameter.

[0055] In S22, the computer 20 determines whether the following judgment has been made: whether a predetermined identification method different from the first identification method (hereinafter referred to as the "second identification method") can be set for all remaining components for which no identification method has been set. In the case where it is determined that the judgment has been made (Yes in S22), the computer 20 advances the processing to S30. In the case where it is determined that the judgment has not been made (No in S22), the computer 20 advances the processing to S24. The second identification method is an identification method based on a predetermined peak parameter (hereinafter also referred to as the "second priority peak parameter") that is different from the first priority peak parameter among the peak parameters.

[0056] In S24, one component that has not been judged among the remaining components for which the identification method has not been set is selected, and the selected component is set as the target component. The computer 20 sets one component that has not been judged whether it can be identified by the second identification method among the components that are determined to be indistinguishable from other components based on the first priority peak parameter in S24 as the target component. In addition, when the processing of S14 to S19 is performed according to the peak number (elution order), in S24, the target component is selected from the remaining components for which the identification method has not been set according to the order of the peak number.

[0057] In S26, the computer 20 determines whether the target component can be distinguished from other components based on the second priority peak parameter. Here, the so-called other components in S26 are components other than the components for which the identification method has been set and the target components set in S24, among the multiple components corresponding to each of the multiple peak information obtained in S10. In other words, the so-called other components in S26 are components other than the target components set in S24, among the components for which the identification method has not been set.

[0058] If it is determined that the target component can be distinguished from the other components based on the peak parameters (Yes in S26), the computer 20 proceeds to S28. On the other hand, if it is determined that the target component cannot be distinguished (No in S26), the computer 20 proceeds to S29. The method of determining whether the target component can be distinguished from the other components based on the peak parameters is the same as S16, so it will not be repeated.

[0059] The second priority peak parameter selection can be appropriately selected by an operator or user providing the chromatography system 1 from one or more peak parameters that can be extracted from the component peaks and is considered to be the peak parameter that best represents the characteristics of the component peak after the first priority peak parameter.

[0060] When the detector 14 is a PDA detector, as an example, the spectrum is selected as the first priority peak parameter, and the peak area ratio or the peak height ratio is selected as the second priority peak parameter.

[0061] In addition, when the second priority peak parameter is not selected, the computer 20 determines that the target component cannot be distinguished from other components based on the second priority peak parameter, and the processing can proceed to S29. For example, when the detector 14 is a mass spectrometer, the m / z of the base peak can be selected as the first peak parameter, and the second peak parameter is not selected.

[0062] When the computer 20 determines that the identification is possible (Yes in S26), in S28, the identification method of the target component is set to the second identification method based on the second priority peak parameter, and the process proceeds to S22. The identification method based on the peak parameter is the same as S18, so it will not be described repeatedly.

[0063] On the other hand, when the computer 20 determines that the distinction cannot be made (No in S26), in S29, it determines that the second identification method cannot be set for the target component, finally sets the setting order of the target component, and proceeds to S22.

[0064] The computer 20 repeatedly performs the processing of S24 to S29 until the judgment of whether the second identification method can be set for all components determined to be indistinguishable from other components based on the first priority peak parameters is completed. If the judgment is completed (yes in S22), the processing proceeds to S30.

[0065] The computer 20 repeats the processing of S24 to S29 until the determination of whether all remaining components for which the first identification method is not set can be identified by the second identification method is completed. If the determination is completed (Yes in S22), the processing proceeds to S30.

[0066] In S30, the computer 20 determines whether the identification method is set for all components. In the case of determining that it is set (yes in S30), the computer 20 ends the setting process. In S30, the identification method is set for all components, which means that the first identification method or the second identification method is set for all components. In addition, the setting order of the components that are determined to be unable to be identified by the first identification method in S19 is finally set, and the computer 20 sets the identification order according to the order in which the identification method is set. Therefore, the identification order is set in the order of the components for which the first identification method is set and the components for which the second identification method is set. In addition, in the case of performing the processing of S14 to S19 according to the peak number (elution order), when there are multiple components for which the first identification method is set, the identification order of the multiple components is the elution order (peak number). Regarding the components for which the second identification method is set, similarly, when there are multiple components for which the second identification method is set, the identification order of the multiple components is the elution order (peak number).

[0067] If it is determined that it is not set (No in S30), the computer 20 advances the process to S32. The identification method of not setting at least one component in S30 means that it is determined that at least one component cannot be distinguished from other components based on any peak parameter of the first priority peak parameter and the second priority peak parameter.

[0068] In S32, the computer 20 determines whether there is a component for which an identification method based on peak parameters is set. If it is determined that the identification method set for at least one component is an identification method based on peak parameters (YES in S32), the computer 20 advances the process to S34.

[0069] In S34, the computer 20 determines each identification method of the remaining components as an identification method based on a relative position relationship (hereinafter, also referred to as the "third identification method"), and ends the setting process. The third identification method will be described later with reference to the figure. In addition, the setting order of the components that are judged as unable to be identified by the second identification method in S29 is finally set, and the computer 20 sets the identification order according to the order in which the identification methods are set. Therefore, the identification order is set in the order of the components for which the first identification method is set, the components for which the second identification method is set, and the components for which the third identification method is set. In addition, in S34, when there are multiple remaining components for which the identification method is not set, the computer 20 may also set the identification order of the remaining components to the elution order (peak number).

[0070] When the computer 20 determines that there is no component for which an identification method based on peak parameters is set (No in S32), that is, when it determines that any component cannot be distinguished from other components based on the selected peak parameters (first priority peak parameters or second priority peak parameters), the processing proceeds to S36.

[0071] In S36 , the computer 20 sets the identification method of all components to the identification method based on the elution order (peak number), sets the identification order to the elution order (peak number), and ends the setting process.

[0072] As described above, the computer 20 sets the identification method for each of the plurality of components based on the peak information of the components and in accordance with the predetermined conditions. Therefore, the user does not need to perform repeated experiments, and can set an appropriate identification method based on the characteristics of the peaks corresponding to each component in the chromatogram obtained by analyzing the sample as the analysis object. As a result, the identification method can be easily set for each of the plurality of components.

[0073] In addition, in the present embodiment, the computer 20 sets the identification order in the order in which the identification methods are set. The computer 20 determines whether the first identification method can be set for all components, and sets the identification method of the settable components to the first identification method. Thereafter, it determines whether the second identification method can be set for all components that are determined to be unable to be set with the first identification method, and sets the identification method of the settable components to the second identification method. Then, the computer 20 sets the identification method of all components that are determined to be unable to be set with any of the first identification method and the second identification method to the third identification method. Therefore, the identification order is in the order of the components for which the first identification method is set, the components for which the second identification method is set, and the components for which the third identification method is set.

[0074] also, Figure 2 and Figure 3 The setting process shown is an example. The computer 20 can also set identification methods for multiple components in sequence. After setting the identification methods for all components, the identification order is set in the order of setting the component peak of the first identification method, setting the component peak of the second identification method, and setting the component peak of the third identification method.

[0075] In addition, Figure 2 and Figure 3In the embodiment, the computer 20 uses two peak parameters to set a third identification method based on a relative position relationship for a component that cannot be distinguished from other components by any peak parameter. In addition, the computer 20 may use one peak parameter to set a third identification method for a component that cannot be distinguished from other components by the peak parameter. That is, the computer 20 may not execute S20 to S29 and proceed to S30 when it is determined that the judgment of whether the first identification method can be set has been made (Yes in S12).

[0076] In addition, the computer 20 may also use more than three peak parameters to set a third identification method for a component that cannot be distinguished from other components by any peak parameter. In the case described above, the computer 20 may also determine whether an identification method based on a third priority peak parameter (considered to be the peak parameter that best represents the peak characteristics after the first priority peak parameter and the second priority peak parameter) can be set for the remaining components for which the identification method is not set, when it is determined that a judgment has been made as to whether the second identification method can be set (yes in S22). Since the determination method is common to S12 to S19 and S22 to S29, it is not repeated. After the computer 20 has finished determining all the peak parameters, it proceeds to S30 and sets the identification method for the remaining components for which the identification method is not set to the third identification method based on the relative position relationship or the fourth identification method based on the elution order. In this way, by increasing the types of identification methods that can be set, a more appropriate identification method corresponding to each component can be set.

[0077] [Setting information and setting screen]

[0078] Figure 4 This is a diagram showing an example of a reference chromatogram. Figure 5 This is a diagram schematically showing an example of the data structure of setting information. Figure 6 This is a diagram showing an example of a setting screen displayed on the display. Figure 5 The setting information 240 shown is based on Figure 4 The information is obtained when the peak information 248 extracted from the reference chromatogram G1 shown is set and processed. Figure 6 The setting screen 300 shown is based on Figure 4 The screen is created by the setting information 240 shown. Figure 4 The reference chromatogram G1 shown is a two-dimensional chromatogram showing the detection intensity with respect to the retention time axis as an example, and a spectrum (for example, a PDA spectrum) is acquired for each peak.

[0079] like Figure 4 As shown in FIG. 1 , when eight peaks (P1 to P8) appear in the reference chromatogram G1, Figure 5As shown, peak information 248 can be obtained for each of the eight components (peaks P1 to P8), and identification methods 244 and identification orders 246 can be set for each of the eight components (peaks P1 to P8). In addition, the component name 242 can also be set by the user or the computer 20 separately from the peak name (e.g., peak number).

[0080] Reference Figure 6 The setting screen 300 includes: an area 310 for displaying the component name (e.g., peak number); an area 320 for displaying the identification method set for the component selected in the area 310; and an area for starting Figure 2 , Figure 3 A button 330 for setting processing, an OK button 340, and a cancel button 350 are shown.

[0081] When the button 330 is selected by moving the pointer P via the input device 40, the computer 20 obtains the Figure 4 The peak information 248 of each component (each peak) extracted from the reference chromatogram shown in FIG. 1 is obtained, and the process starts based on the peak information 248 obtained. Figure 2 , Figure 3 The computer 20 executes the setting process to set the identification method 244 and the identification order 246 for each component. When the setting process is completed, the setting screen 300 is updated according to the identification method 244 and the identification order 246 set by the setting process.

[0082] In area 310, the names of the components of the peaks extracted from the reference chromatogram are displayed in the order of identification. Figure 5 , Figure 6 In the example shown, the identification order is set in the order of P3, P8, P4, P7, P1, P2, P5, and P6.

[0083] In addition, the identification order can be changed by selecting and moving the button 312 displaying the component name using the pointer P via the input device 40. When the confirmation button 340 is selected after the identification order is changed, the changed identification order is confirmed. That is, the computer 20 can execute the step of accepting the input of the identification order and the step of determining the identification order according to the input order. That is, the identification order can be arbitrarily set by the user.

[0084] The identification method set for the component selected in the area 310 is displayed in the area 320. The set peak parameters and the threshold value for determining whether to establish association according to the peak parameters are displayed in the area 320. In addition, when the drop-down button 322 displayed in the area 320 is selected, the peak parameters that can be set are displayed, and the user can change the set peak parameters. In addition, the user can also input an arbitrary threshold value into the text box 324 displayed in the area 320 via the input device 40. That is, the association condition in the identification process can be set automatically by the identification process, and can also be set arbitrarily by the user according to each component peak.

[0085] [Identification Process]

[0086] Figure 7 is a flow chart showing a portion of the identification process. Figure 8 is a flow chart showing the remainder of the identification process. Figure 7 , Figure 8 The processing steps shown are realized by executing the program stored in the memory 24 by the processor 22. The identification process is performed when a set of data sets to be identified is selected via the input device 40 and an automatic identification start operation is accepted. In addition, as described above, a set of data sets includes a plurality of analysis data obtained by analyzing the same sample under a plurality of mutually different analysis conditions.

[0087] In S40, the computer 20 obtains the setting information 240. The setting information 240 is information created by the setting process, and sets the identification method 244 and the identification order 246 for each component. The setting information 240 is stored for each set of data sets. The computer 20 obtains the setting information 240 by reading the setting information 240 corresponding to the selected data set from the memory 24.

[0088] In S42, the computer 20 determines whether the identification of all chromatograms is completed. If it is determined to be completed (Yes in S42), the computer 20 ends the identification process. If it is determined not to be completed (No in S42), the computer 20 advances the process to S44.

[0089] In S44, the computer 20 selects a chromatogram that has not been identified from the chromatograms in the selected data set, and sets the selected chromatogram as the target chromatogram for identification. In addition, the order of the chromatograms set as the target chromatograms can be any order. For example, when an identity document (ID) number is assigned to each chromatogram, the computer 20 can also set the target chromatograms in the order from small to large ID numbers.

[0090] In S46, the computer 20 determines whether the identification of all components is completed. If it is determined that the identification is completed (Yes in S46), the computer 20 regards that the identification of the set target chromatogram is completed and advances the process to S42. If there is a chromatogram whose identification is not completed (No in S42), the target chromatogram is reset in S44. If it is determined that the identification is not completed (No in S46), the computer 20 advances the process to S48.

[0091] In S48, the computer 20 selects one component for which the identification process has not yet been completed, and sets the selected component as the target component. The order of setting the target components is in accordance with the identification order set by the setting process or the user operation.

[0092] In S50, the computer 20 determines whether the identification method of the target component is an identification method based on peak parameters. If it is determined to be an identification method based on peak parameters (Yes in S50), the computer 20 proceeds to S52. If it is determined not to be an identification method based on peak parameters (No in S50), that is, if it is determined to be the third identification method based on relative position relationship, the computer 20 proceeds to S53. Figure 8 S70 shown.

[0093] In S52, the computer 20 filters the target peak on the target chromatogram according to the peak parameter and threshold set for the target component. For example, when "spectrum" is set as the peak parameter, the computer 20 retrieves the target peak having a spectrum whose similarity to the spectrum of the target component is greater than a predetermined fourth threshold (e.g., 0.90) from the target chromatogram.

[0094] In S54, the computer 20 determines whether there is a candidate for the target peak corresponding to the target component. For example, if there is a spectrum in the target chromatogram whose similarity to the spectrum of the reference component is greater than a predetermined similarity threshold (e.g., 0.90), the computer 20 determines that there is a candidate for the target peak corresponding to the target component (Yes in S54), and the process proceeds to S58. If there is no candidate for the target peak in the target chromatogram, the computer 20 determines that there is no candidate for the target peak corresponding to the target component (No in S54), and the process proceeds to S56.

[0095] In S56 , the computer 20 regards that there is no target peak corresponding to the target component in the target chromatogram, ends the identification of the target component, and proceeds to S46 .

[0096] In S58, the computer 20 determines whether there are multiple candidates. For example, when there are multiple spectra in the target chromatogram whose similarity to the spectrum of the target component is greater than or equal to a predetermined similarity threshold (e.g., 0.90), the computer 20 determines that there are multiple candidates (Yes in S58), and the process proceeds to S60. When there is only one spectrum greater than or equal to the similarity threshold in the target chromatogram, the computer 20 determines that there are no multiple candidates (No in S58), and the process proceeds to S62.

[0097] In S60, the computer 20 associates the target peak with the highest similarity of peak parameters from among the multiple candidates with the target component, ends the identification of the target component, and proceeds to S46. For example, the computer 20 associates the target peak corresponding to the spectrum with the highest similarity with the target component. On the other hand, in the identification method based on the peak parameters, it is also possible to associate the target peak with the highest similarity of the peak parameters with the target component for identification without filtering using a threshold.

[0098] In S62, the computer 20 associates a target peak existing as a candidate with the target component, ends identification of the target component, and proceeds to S46. For example, the computer 20 associates a target peak corresponding to a spectrum greater than a similarity threshold with the target component.

[0099] In addition, in the setting process, when it is determined to associate based on the peak number ( Figure 3 In S36), the peak number is set as the peak parameter, so the computer 20 executes the processing of S52 to S62.

[0100] If it is determined that the identification method is not based on the peak parameter (No in S50), that is, if it is determined that the third identification method is based on the relative position relationship, the computer 20 proceeds to the step Figure 8 S70 shown.

[0101] In S70, the computer 20 extracts from the reference chromatogram the peak of the identified component whose retention time is closest to the peak of the target component in the reference chromatogram, and sets the extracted peak in the reference chromatogram as the first reference peak. In addition, the peak of the target component in the reference chromatogram is also referred to as the "second reference peak". Figure 2 , Figure 3 As described above, the identification order of the component set by the third identification method is set after the component set by the first identification method or the second identification method based on the peak parameter. Therefore, the identification of the component set by the first identification method or the second identification method is completed before the component set by the third identification method.

[0102] In S72 , the computer 20 sets the target peak in the target chromatogram associated with the component of the first reference peak as the first target peak.

[0103] In S74, the computer 20 extracts from the object chromatogram an object peak whose positional relationship with the first object peak becomes a positional relationship according to the positional relationship between the first reference peak and the second reference peak. The positional relationship according to the positional relationship between the first reference peak and the second reference peak is, for example, a positional relationship according to the elution order (peak number). For example, the computer 20 extracts from the object chromatogram an object peak whose peak number is obtained by subtracting the peak number of the second reference peak from the peak number of the first reference peak and subtracting the obtained difference from the peak number of the first object peak.

[0104] In S76, the computer 20 associates the extracted target peak with the target component, ends the identification of the target component, and proceeds to S46. Specifically, when the second reference peak in the reference chromatogram (the peak of the target component in the reference chromatogram) is located after the first reference peak (the peak of the identified component in the reference chromatogram), the next target peak of the first target peak in the target chromatogram (the target peak associated with the first reference peak) is associated with the target component.

[0105] As described above, after the computer 20 identifies the target peak corresponding to the component that can be identified based on the peak parameter, it associates the component that cannot be identified based on the peak parameter with the target peak based on the relative positional relationship.

[0106] Therefore, for components that cannot be identified based on peak parameters, association can be established by considering the relationship with other components, so that the identification process can be advanced with higher accuracy compared to the case of simply identifying based on the peak number.

[0107] In addition, Figure 8 In the example shown, the first reference peak is set in the identification process. Alternatively, the computer 20 may set the first reference peak in the setting process and store the set first reference peak in the memory 24 in association with the component for which the third identification method is set.

[0108] As reference Figure 2 , Figure 3As described above, since the first priority peak parameter is a peak parameter that is considered to be more capable of representing the characteristics of the peak of the component than the second priority peak parameter, the first identification method is considered to have higher identification accuracy than the second identification method. In addition, the third identification method is not an identification method that uses peak parameters that represent the peaks of each component, but an identification method based on the positional relationship with the peaks of other identified components. Therefore, it is considered that the identification method that uses peak parameters based on the characteristics of the component has higher identification accuracy than the third identification method.

[0109] As reference Figure 2 , Figure 3 As described above, the computer 20 examines whether the identification method is feasible in descending order of identification accuracy for each component peak. Therefore, each component peak can be identified with high accuracy.

[0110] As reference Figure 2 , Figure 3 As described above, the computer 20 sets the identification order in the order of the component for which the first identification method is set, the component for which the second identification method is set, and the component for which the third identification method is set. Therefore, when the association of the component for which the second identification method is set is performed, since the association of the component for which the first identification method is set has been completed, the candidate for the object peak to be associated with the component for which the second identification method is set can be narrowed down. Thus, the identification process can be advanced with higher accuracy. That is, in this embodiment, the computer 20 can set an appropriate identification order corresponding to the identification method set for each component.

[0111] [Identification results]

[0112] Fig. 9 : is a diagram showing an example of the identification result. As an example, the display 30 displays a reference chromatogram G1, a chromatogram G2 of the identification target, a chromatogram G3, and a list T1 of peaks of the target chromatogram associated with each component. Fig. 9 The reference chromatogram G1 and the chromatograms G2 and G3 of the identification target are shown as two-dimensional chromatograms showing the detection intensity relative to the retention time axis as an example, but a spectrum (such as a PDA spectrum) is obtained for each peak. Fig. 9 The reference chromatogram G1 shown is Figure 4 The reference chromatogram G1 shown, Fig. 9 The identification results shown are as follows Figure 5 The result obtained by performing the identification process on the setting information 240 shown in FIG. Fig. 9 In the example shown, the reference chromatogram G1 is displayed for ease of explanation, but the reference chromatogram G1 may not be displayed.

[0113] For example, according to the chromatogram G2 obtained under condition 2, the number of extracted component peaks is one more than that of the reference chromatogram G1 and the chromatogram G3. In this case, if the association is performed in the order of elution, the peak P7(2) in the chromatogram G2 is associated with the component P7. However, as can be seen from the comparison between the reference chromatogram G1 and the chromatogram G2, it may be more appropriate to associate the peak P8(2) with the component P7, depending on the peak area ratio or the relative positional relationship with other peaks.

[0114] In this case, by setting the peaks to be associated according to the relative positional relationship with the identified components after the components that can be identified based on the peak parameters are identified in advance, the identification accuracy can be further improved.

[0115] [Example]

[0116] It should be understood by those skilled in the art that the above-described implementation modes are specific examples of the following embodiments.

[0117] (Item 1) A setting method of an embodiment is executed by a computer and is used to set an identification method for each of a plurality of components. According to the following identification method, i.e., an identification method for setting each of a plurality of components based on a plurality of peak information corresponding to each of a plurality of components obtained from a reference chromatogram obtained by chromatographically analyzing a sample containing a plurality of components, a plurality of target peaks corresponding to each of a plurality of components are identified by determining for each component whether the component corresponds to one of a plurality of target peaks contained in a target chromatogram of the identification object. The setting method includes the following steps: obtaining a plurality of peak information; determining whether one of a plurality of components can be distinguished from other components other than the one component based on the value of a first peak parameter representing a characteristic of the peak contained in each peak information; setting the identification method of a component that can be distinguished from other components based on the first peak parameter to a first identification method based on the first peak parameter; and setting the identification method of a component that cannot be distinguished from other components based on the first peak parameter to another identification method different from the first identification method.

[0118] According to the setting method described in item 1, the computer sets the identification method for each of the plurality of components according to the predetermined conditions based on the peak information of the component. Therefore, it is not necessary for the user to perform repeated experiments, and an appropriate identification method can be set according to the characteristics of the peaks corresponding to each component in the reference chromatogram. As a result, the identification method can be easily set for each of the plurality of components.

[0119] (Item 2) According to the setting method described in Item 1, the step of determining whether distinction can be made based on the first peak parameter includes the following steps: comparing the value of the first peak parameter contained in the peak information of the first component among multiple components with the value of the first peak parameter contained in the peak information of components other than the first component among multiple peak information, and determining whether there is a component whose difference with the value of the first peak parameter of the first component is smaller than a first threshold value; if it is determined that there is no component whose difference is smaller than the first threshold value, determining that the first component can be distinguished based on the first peak parameter; and if it is determined that there is a component whose difference is smaller than the first threshold value, determining that the first component cannot be distinguished based on the first peak parameter.

[0120] (Item 3) The setting method according to Item 1, wherein the first peak parameter is a spectrum corresponding to the peak. The step of determining whether the distinction can be made based on the first peak parameter comprises the following steps: comparing a first spectrum included in the peak information of a first component among the plurality of components with a spectrum included in the peak information of a component other than the first component among the plurality of peak information, and determining whether there is a spectrum having a similarity with the first spectrum greater than a second threshold value; if it is determined that there is no spectrum having a similarity greater than the second threshold value, determining that the first component can be distinguished based on the first peak parameter; and if it is determined that there is a spectrum having a similarity greater than the second threshold value, determining that the first component cannot be distinguished based on the first peak parameter.

[0121] (Item 4) A setting method according to any one of Items 1 to 3, wherein the step of setting as the other identification method includes the following steps: determining whether a second component among multiple components that cannot be distinguished based on the first peak parameter and other components other than the second component and the component among multiple components that can be distinguished based on the first peak parameter can be distinguished based on a second peak parameter representing the characteristics of the peak contained in the peak information; setting the identification method of the second component that can be distinguished from the other components based on the second peak parameter as a second identification method based on the second peak parameter as another identification method; and setting the identification method of the second component that cannot be distinguished from the other components based on the second peak parameter as a third identification method as another identification method.

[0122] According to the setting method described in Item 4, for each component peak, the identification method of the component that cannot be distinguished from other components based on the first peak parameter and can be distinguished based on the other second peak parameter is set as the second identification method, and the identification method of the component that cannot be distinguished based on the second peak parameter is set as the third identification method. Therefore, the types of identification methods that can be set are increased, and a more appropriate identification method corresponding to the component can be set.

[0123] (Item 5) A setting method according to any one of Items 1 to 3, wherein the object chromatogram is obtained by performing chromatographic analysis on the sample under analysis conditions different from the analysis conditions when the reference chromatogram is obtained. Other identification methods are methods based on the positional relationship between a first reference peak in the reference chromatogram corresponding to the third component for which the first identification method is set and a second reference peak corresponding to the fourth component for which another identification method is set. Other identification methods are methods in which a component of a second object peak included in the object chromatogram whose positional relationship with a first object peak associated with the third component among a plurality of object peaks included in the object chromatogram becomes a positional relationship according to the positional relationship between the first reference peak and the second reference peak is identified as the fourth component.

[0124] According to the setting method described in Item 5, for a component that cannot be identified based on the first peak parameter, an identification method based on a relative positional relationship is set. Therefore, for a component that cannot be identified based on the first peak parameter, a correlation can be established by considering the relationship with other components, and thus the identification method can be set so that identification can be advanced with high accuracy compared to the case where identification is performed simply based on the elution order, etc.

[0125] (Item 6) A setting method according to any one of Items 1 to 5, wherein a plurality of target peaks corresponding to each of the plurality of components are identified in accordance with an identification order predetermined for the plurality of components. The setting method further comprises the step of determining the identification order in such a manner that a component for which a first identification method is set precedes components for which other identification methods are set to determine whether one of the plurality of target peaks can be identified.

[0126] According to the setting method described in Item 6, when associating the components for which other identification methods are set, the association of the components for which the first identification method is set has already been completed, so that the candidates for the target peaks to be associated with the components for which other identification methods are set can be narrowed down. Therefore, an appropriate identification order corresponding to the identification methods set for each component can be set.

[0127] (Item 7) A setting method according to any one of Items 1 to 6, wherein the plurality of target peaks corresponding to each of the plurality of components are identified in accordance with a predetermined identification order for the plurality of components. The setting method further comprises the steps of: accepting input of the identification order; and determining the identification order in accordance with the order in which the input is accepted.

[0128] According to the setting method described in Item 7, the identification order can be arbitrarily set by the user.

[0129] (Item 8) A setting device of one embodiment is a setting device for setting an identification method for each of a plurality of components. According to the following identification method, i.e., an identification method for each of a plurality of components is set based on a plurality of peak information corresponding to each of a plurality of components obtained from a reference chromatogram obtained by chromatographically analyzing a sample containing a plurality of components, by determining for each component whether the component corresponds to one of a plurality of target peaks contained in a target chromatogram of the identification object, the plurality of target peaks corresponding to each of the plurality of components are identified. The setting device includes: a processor; and a memory storing a program executable by the processor. The processor obtains a plurality of peak information, and determines whether one of the plurality of components can be distinguished from other components other than the one component based on the value of a first peak parameter representing a characteristic of the peak contained in each peak information, sets the identification method of the component that can be distinguished from other components based on the first peak parameter to a first identification method based on the first peak parameter, and sets the identification method of the component that cannot be distinguished from other components based on the first peak parameter to another identification method different from the first identification method.

[0130] (Item 9) A program according to an embodiment causes a processor of a computer to execute the setting method according to any one of Items 1 to 7.

[0131] According to the setting device described in item 8 or the program described in item 9, the processor sets the identification method for each of the plurality of components according to the predetermined conditions based on the peak information of the component. Therefore, it is not necessary for the user to perform repeated experiments, and an appropriate identification method can be set according to the characteristics of the peak corresponding to each component in the reference chromatogram. As a result, the identification method can be easily set for each of the plurality of components.

[0132] The embodiments disclosed herein are also expected to be appropriately combined and implemented within the scope of technical non-contradiction. Moreover, the embodiments disclosed herein should be considered to be illustrative and non-restrictive in all aspects. The scope of the present invention is not the description of the embodiments but is indicated by the claims, and is intended to include all changes within the meaning and scope equivalent to the claims.

[0133] Although the embodiments of the present invention have been described, the embodiments disclosed this time should be considered to be illustrative in all aspects and not restrictive. The scope of the present invention is indicated by the claims, and is intended to include all modifications within the meaning and scope equivalent to the claims.

Claims

1. A setting method, executed by a computer, for setting an identification method for each of a plurality of components, wherein: According to the following identification method, i.e., an identification method in which each of the plurality of components is set based on a plurality of peak information corresponding to each of the plurality of components obtained from a reference chromatogram obtained by chromatographically analyzing a sample containing the plurality of components, the plurality of target peaks corresponding to each of the plurality of components are identified by determining, for each component, whether the component corresponds to one of a plurality of target peaks included in a target chromatogram of the identification target, The setting method comprises the following steps: Obtaining the plurality of peak information; determining whether one of the plurality of components can be distinguished from other components other than the one component based on a value of a first peak parameter indicating a characteristic of a peak included in each peak information; setting an identification method of a component among the plurality of components that can be distinguished from other components based on the first peak parameter as a first identification method based on the first peak parameter; as well as The identification method of a component among the plurality of components that cannot be distinguished from other components based on the first peak parameter is set to another identification method different from the first identification method.

2. The setting method according to claim 1, wherein: The step of determining whether distinction can be made based on the first wave peak parameter comprises the following steps: comparing the value of the first peak parameter included in the peak information of a first component among the plurality of components with the value of the first peak parameter included in the peak information of components other than the first component among the plurality of peak information, and determining whether there is a component whose difference with the value of the first peak parameter of the first component is smaller than a first threshold value; When it is determined that there is no component whose difference is smaller than the first threshold, determining that the first component can be distinguished based on the first peak parameter; as well as When it is determined that there is a component in which the difference is smaller than the first threshold value, it is determined that the first component cannot be distinguished based on the first peak parameter.

3. The setting method according to claim 1, wherein: The first peak parameter is the spectrum corresponding to the peak, The step of determining whether distinction can be made based on the first wave peak parameter comprises the following steps: comparing a first spectrum included in the peak information of a first component among the plurality of components with a spectrum included in the peak information of a component other than the first component among the plurality of peak information, and determining whether there is a spectrum having a similarity with the first spectrum greater than a second threshold value; When it is determined that there is no spectrum with the similarity greater than the second threshold, determining that the first component can be distinguished based on the first peak parameter; as well as When it is determined that there is a spectrum whose similarity is greater than the second threshold value, it is determined that the first component cannot be distinguished based on the first peak parameter.

4. The setting method according to any one of claims 1 to 3, wherein: The steps set as the other identification method include the following steps: determining whether a second component among the plurality of components that cannot be distinguished based on the first peak parameter and other components other than the second component and the component among the plurality of components that can be distinguished based on the first peak parameter can be distinguished based on a second peak parameter representing a characteristic of the peak included in the peak information; setting an identification method of the second component that can be distinguished from other components based on the second peak parameter as a second identification method based on the second peak parameter as the other identification method; as well as The identification method of the second component that cannot be distinguished from other components based on the second peak parameter is set as a third identification method as the other identification method.

5. The setting method according to any one of claims 1 to 3, wherein: The target chromatogram is obtained by performing chromatographic analysis on the sample under analysis conditions different from the analysis conditions when the reference chromatogram is obtained, The other identification methods The method is based on the positional relationship between a first reference peak corresponding to the third component for which the first identification method is set and a second reference peak corresponding to the fourth component for which the other identification method is set in the reference chromatogram. And it is a method as follows, namely, a method in which a component of a second object peak included in the object chromatogram whose positional relationship with a first object peak associated with the third component among the multiple object peaks included in the object chromatogram becomes a positional relationship according to the positional relationship between the first reference peak and the second reference peak, and is identified as the fourth component.

6. The setting method according to any one of claims 1 to 3, wherein: identifying the plurality of target peaks corresponding to each of the plurality of components according to a predetermined identification order for the plurality of components, The setting method further includes the step of determining the identification order in such a manner that a component for which the first identification method is set determines whether one of the plurality of target peaks can be identified before a component for which the other identification methods are set.

7. The setting method according to any one of claims 1 to 3, wherein: identifying the plurality of target peaks corresponding to each of the plurality of components according to a predetermined identification order for the plurality of components, The setting method also includes the following steps: accepting input of the identification sequence; and The identification order is determined according to the order in which the inputs are received.

8. A setting device for setting an identification method for each of a plurality of components, wherein: According to the following identification method, i.e., an identification method in which each of the plurality of components is set based on a plurality of peak information corresponding to each of the plurality of components obtained from a reference chromatogram obtained by chromatographically analyzing a sample containing the plurality of components, the plurality of target peaks corresponding to each of the plurality of components are identified by determining, for each component, whether the component corresponds to one of a plurality of target peaks included in a target chromatogram of the identification target, The setting device comprises: processor; as well as a memory storing a program executable by the processor, The processor Obtaining the plurality of peak information, determining whether one of the plurality of components can be distinguished from other components other than the one component based on the value of a first peak parameter indicating a characteristic of a peak included in each peak information; setting a method for identifying a component among the plurality of components that can be distinguished from other components based on the first peak parameter as a first identification method based on the first peak parameter, The identification method of a component among the plurality of components that cannot be distinguished from other components based on the first peak parameter is set to another identification method different from the first identification method.

Images