Setting method and setting device

Abstract

To easily set an identification method for each of a plurality of components.SOLUTION: 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 chromatographic analysis of a sample including the plurality of components, determines 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 the characteristics of a peak included in each piece of peak information, sets an identification method of a component distinguishable from the other components on the basis of the first peak parameter among the plurality of components to a first identification method based on the first peak parameter, and sets an identification method of a component indistinguishable from the other components on the basis of the first peak parameter among the plurality of components to another identification method different from the first identification method.SELECTED DRAWING: Figure 2

Description

[Technical field]

[0001] The present disclosure relates to a computer-implemented configuration method and apparatus for configuring an identification method for each of a plurality of components. [Background technology]

[0002] Patent Document 1 discloses a data processing system capable of automatically associating peaks among a plurality of chromatograms obtained by chromatographically analyzing the same sample under a plurality of different analytical conditions. The data processing system of Patent Document 1 uses one of the plurality of chromatograms as a reference chromatogram, and associates each peak included in the other chromatograms with each peak included in the reference chromatogram using peak parameters of each peak (i.e., each component) included in the reference chromatogram. [Prior art documents] [Patent documents]

[0003] [Patent Document 1] JP 2023-4872 A Summary of the Invention [Problem to be solved by the invention]

[0004] 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 peaks in other chromatograms are identified. In order to automatically identify the multiple peaks corresponding to each of the multiple components, it was necessary to set an identification method for each component, such as how to specifically associate the peaks based on information (hereinafter referred to as "peak information") constituting the peaks corresponding to each component, such as the peak area, peak height, and peak position.

[0005] Since changing the identification method results in different identification results, it was necessary to set an appropriate identification method to obtain accurate identification results. However, setting an appropriate identification method sometimes required trial and error, which was a burden for the user.

[0006] The present disclosure has been made to solve such problems, and one of its objectives is to easily set an identification method for each of multiple components. [Means for solving the problem]

[0007] The setting method of the present disclosure is executed by a computer to set an identification method for each of a plurality of components. 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 the plurality of components, it is determined whether or not each component corresponds to one of a plurality of target peaks included in a target chromatogram to be identified according to the identification method set for each of the plurality of components, thereby identifying a plurality of target peaks corresponding to each of the plurality of components. The identification method setting method includes a step of acquiring a plurality of peak information, a step of determining whether or not 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 the peak included in each peak information, a step of setting an identification method for 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 a step of setting an identification method for 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.

[0008] The setting device of the present disclosure is a setting device for setting an identification method for each of a plurality of components. 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 the plurality of components, it is determined whether or not each component corresponds to one of a plurality of target peaks included in a target chromatogram to be identified according to an identification method set for each of the plurality of components, thereby identifying a plurality of target peaks corresponding to each of the plurality of components. The setting device of the identification method includes a processor and a memory storing a program executable by the processor. The processor acquires a plurality of peak information, and determines whether or not 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, and sets an identification method for 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 sets an identification method for 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. Effect of the Invention

[0009] According to the present disclosure, an identification method can be easily set for each of a plurality of components. [Brief description of the drawings]

[0010] [Figure 1] FIG. 1 is a block diagram showing a schematic configuration of a chromatography system. [Diagram 2] 13 is a flowchart showing a part of a setting process. [Diagram 3] 10 is a flowchart showing the remaining part of the setting process. [Figure 4] FIG. 2 is a diagram showing an example of a reference chromatogram. [Diagram 5] FIG. 4 is a diagram illustrating an example of a data structure of setting information. [Figure 6] FIG. 4 is a diagram showing an example of a setting screen displayed on a display. [Figure 7] 13 is a flowchart showing a part of an identification process. [Figure 8] 13 is a flowchart showing the remaining part of the identification process. [Figure 9] FIG. 11 is a diagram showing an example of an identification result. DETAILED DESCRIPTION OF THE PREFERRED EMBODIMENTS

[0011] Hereinafter, embodiments of the present disclosure will be described in detail with reference to the drawings. In the drawings, the same or corresponding parts are designated by the same reference characters and their description will not be repeated.

[0012] [Chromatography System] FIG. 1 is a block diagram showing a schematic configuration of a chromatographic system. The chromatographic 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 acquire analysis results and the like created 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 accepts 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 accepted analysis conditions.

[0013] The analytical device 10 includes a chromatograph 12, a detector 14, and a control device 16. The chromatograph 12 is a separation device such as a liquid chromatograph or a gas chromatograph. The detector 14 is a device that detects 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, an electrical conductivity detector, an electrochemical detector, an evaporative light scattering detector, or a mass spectrometer.

[0014] The control device 16 processes the detection results of the detector 14 and controls the entire analysis device 10 including the chromatograph 12 and the detector 14. The control device 16 creates a chromatogram based on the detection results sent from the detector 14, detects peaks from the chromatogram, and extracts information constituting each peak observed on the chromatogram (hereinafter referred to as "peak information"). The "peak information" includes values ​​of various peak parameters such as peak area, peak height, and peak position (retention time, wavelength, m / z, etc.). The control device 16 stores analysis data including the created chromatogram and the peak information extracted from the chromatogram in a storage device. 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.

[0015] The chromatograms created by the control device 16 include at least one of a two-dimensional chromatogram and a three-dimensional chromatogram. The two-dimensional chromatogram is a chromatogram that represents detection intensity against the retention time axis. The three-dimensional chromatogram is a chromatogram that represents detection intensity against two axes, the retention time axis and the wavelength axis or the m / z axis. The type of chromatogram to be created depends on the type of detector 14.

[0016] The computer 20 is an example of a setting device that executes a "setting process" for setting an identification method for each of a plurality of components, and a processing device that executes an "identification process" for identifying peaks in a chromatogram corresponding to each of a plurality of components. Note that the processing device and the setting device may be realized by different devices.

[0017] The "identification process" is a process for identifying a peak in a target chromatogram that corresponds to a component by determining whether the component corresponds to one of multiple peaks (hereinafter also referred to as "target peaks") in the chromatogram to be identified (hereinafter also referred to as "target chromatogram"), according to the peak information obtained for each component and the identification method set for each component.

[0018] The computer 20 includes a processor 22, a memory 24, and an input / output I / F 26. Each unit in the computer 20 is configured to be able to communicate with each other via a bus.

[0019] The processor 22 is typically an arithmetic processing unit such as a CPU (Central Processing Unit) or an MPU (Micro Processing Unit). The processor 22 controls the operation of the computer 20 by reading and executing a program stored in the memory 24. The program, when executed by the processor 22, causes the computer 20 to execute an identification process for associating component peaks appearing in a plurality of chromatograms with each other and a setting process for setting an identification method in the identification process.

[0020] The memory 24 is realized by a storage device such as a ROM (Read Only Memory), a RAM (Random Access Memory), and a HDD (Hard Disk Drive). The ROM stores the program executed by the processor 22. The RAM temporarily stores data used by the processor 22 while the program is being executed, and functions as a temporary data memory used as a working area. The HDD is a non-volatile storage device. In addition to or instead of the HDD, a semiconductor storage device such as a flash memory may be adopted. The above programs and / or data may be stored in an external storage device accessible by the processor 22.

[0021] The input / output I / F 26 is an interface for exchanging various data between the processor 22 and an external device connected to the input / output I / F 26. The external device includes the display 30, the input device 40, and the analysis device 10. For example, the computer 20 acquires chromatogram data created by the control device 16, data related to the analysis conditions of the chromatogram, data indicating the type of the detector 14, and the like via the input / output I / F 26.

[0022] The display 30 is an example of a notification unit that notifies a user of predetermined information. As an example, the display 30 displays a chromatogram created by the control device 16, the processing result of the identification processing, a setting screen for setting the matching conditions in the identification processing, the setting contents which are the results of the setting processing, and the like.

[0023] The input device 40 is typically configured with a touch panel, a keyboard, a mouse, etc. The input device 40 accepts an input operation by a user to the processor 22. As an example, the input device 40 is used to input an association condition.

[0024] In order to search for analysis conditions suitable for a sample, a user may perform an analysis by changing the analysis conditions for the same sample. For example, the user may perform an analysis by changing the type of mobile phase, the type of stationary phase, the flow rate of the mobile phase, the conditions of gradient analysis, etc. By performing an identification process on each of a plurality of chromatograms obtained by changing the analysis conditions, the peaks appearing in the plurality of chromatograms can be associated with each other, and the user can relatively evaluate each peak and search for analysis conditions.

[0025] The computer 20 is configured to be capable of acquiring a plurality of analytical data obtained by analyzing the same sample under a plurality of mutually different analytical conditions. The plurality of analytical data obtained by analyzing the same sample under a plurality of mutually different analytical conditions is stored in a storage device as a set of data sets. The storage device may be the memory 24 included in the computer 20, or 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.

[0026] [Settings process] The computer 20 executes an identification process for identifying peaks corresponding to components and a setting process for setting an identification method for each component. In this embodiment, the "identification process" refers to a process that the computer 20 automatically executes according to the identification method set in the setting process. Also, the "setting process" refers to a process that the computer 20 automatically sets an identification method for each component according to predetermined conditions.

[0027] Fig. 2 is a flowchart showing a part of the setting process. Fig. 3 is a flowchart showing the remaining part of the setting process. The processing steps (hereinafter abbreviated as "S") shown in Figs. 2 and 3 are realized by the processor 22 executing a program stored in the memory 24. As an example, the setting process is executed when an operation to start automatic setting of identification process conditions is received via the input device 40.

[0028] For example, when performing an identification process on each of a plurality of chromatograms obtained by changing the analysis conditions for the same sample, the user operates the input device 40 to perform a setting process before performing the identification process.

[0029] In S10, the computer 20 acquires a plurality of peak information corresponding to each of a plurality of components contained in the sample to be analyzed. In this embodiment, the computer 20 selects one of the chromatograms, which are a plurality of pieces of analysis data stored in the storage device as a set of data sets, and acquires a plurality of peak information from the selected analysis data. The one piece of analysis data may be selected by a user or may be selected by the computer 20 according to a predetermined condition. The acquired peak information includes values ​​of various peak parameters such as the peak area, peak height, and peak position (retention time (e.g., peak numbers assigned in order of the earliest elution time), wavelength, m / z, etc.). In the following, the chromatogram from which the peak information acquired in S10 is extracted may be referred to as a "reference chromatogram."

[0030] The multiple peak information may be extracted from a chromatogram obtained by actually performing chromatographic analysis on a standard sample created to imitate the sample to be analyzed, rather than on the sample to be analyzed. For example, when it is estimated that the sample to be analyzed contains component 1 and component 2, the "standard sample" is created by mixing the components 1 and 2. The multiple peak information is not limited to a chromatogram created by the analysis device 10, but may be extracted from a chromatogram created by an analysis device different from the analysis device 10. The analysis device different from the analysis device 10 is preferably an apparatus having a similar configuration to the analysis device 10 (for example, a configuration in which the type of stationary phase, the type of detector, etc. are the same).

[0031] In S12, the computer 20 judges whether a judgment has been made as to whether a predetermined identification method (hereinafter, referred to as a "first identification method") can be set for all components. If it is judged that a judgment has been made (YES in S12), the computer 20 advances the process to S20 shown in Fig. 3. If it is judged that a judgment has not been made (NO in S12), the computer 20 advances the process to S14.

[0032] The first identification method, which will be described later, is an identification method based on a predetermined peak parameter (hereinafter also referred to as the "first priority peak parameter") among one or more parameters (hereinafter also referred to as the "peak parameters") that represent the characteristics of a peak.

[0033] In S14, the computer 20 selects one component for which no judgment has been made and sets the selected component as the target component. For example, the computer 20 selects the target components in order of peak numbers.

[0034] In S16, the computer 20 determines whether the component of interest can be distinguished from other components based on the first priority peak parameters.

[0035] The first priority peak parameter can be appropriately selected by the operator providing the chromatographic system 1 or a user from among one or more peak parameters that can be extracted from a peak, and is the peak parameter that is considered to best represent the characteristics of the peak.

[0036] The peak parameters are, 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 m / z of the base peak is a peak parameter that can be extracted when the detector 14 is a mass spectrometer, and means the m / z of the mass peak having the greatest detection intensity among the mass spectra acquired for each elution time. The peak area ratio means the ratio of the peak area of ​​the target peak to the total area of ​​all peaks appearing on the same chromatogram. The peak height ratio means the ratio of the peak height of the target component peak to the total height of all component peaks appearing on the same chromatogram.

[0037] Whether or not the target component can be distinguished from other components based on the peak parameters is determined as follows, for example. For example, when determining whether or not the target component can be distinguished based on the m / z, peak area ratio, or peak height ratio of the base peak, the computer 20 compares the value of the peak parameter of the target component peak with each value of the peak parameter of the peak of components other than the target component. The computer 20 determines whether or not there is a component peak whose difference from the value of the peak parameter of the target component peak is smaller than a predetermined threshold value (hereinafter also referred to as a "first threshold value"), and if there is, determines that the component peak cannot be distinguished, and if there is not, determines that the component peak can be distinguished. The first threshold value is appropriately set by the business entity providing the chromatographic system 1, the user, etc., depending on the resolution of the detector 14, etc.

[0038] Furthermore, when determining whether or not the components can be distinguished based on a spectrum (e.g., a PDA spectrum or a mass spectrum), the computer 20 compares a spectrum corresponding to a peak of the target component with each spectrum corresponding to a peak of a component other than the target component. The computer 20 determines whether or not there is a spectrum whose similarity to the spectrum corresponding to the target component is greater than a predetermined threshold value (hereinafter also referred to as a "second threshold value"), and if there is such a spectrum, it determines that the components cannot be distinguished, and if there is not such a spectrum, it determines that the components can be distinguished. The second threshold value is appropriately set by the business entity that provides the chromatographic system 1, the user, or the like, depending on the resolution of the detector 14, etc.

[0039] When it is determined that they can be distinguished (YES in S16), the computer 20 sets the identification method for the target component to the first identification method based on the first priority peak parameter in S18, and proceeds to S12.

[0040] When the identification process is performed based on the peak parameters, the 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 target component peak and a predetermined threshold value (hereinafter also referred to as the "third threshold value") as the identification condition for the one component. In the identification process, the computer 20 searches for a target peak having the m / z of the set m / z ± the m / z of the third threshold value from the target chromatogram, and identifies the target peak as the target peak corresponding to the one component. Note that the first threshold value set to determine whether or not the components in the reference chromatogram can be distinguished from each other and the third threshold value set to identify the corresponding component from the target chromatogram may be the same value or different values. Alternatively, the target component peak most similar to the m / z of the base peak may simply be identified as the target peak corresponding to the one component.

[0041] Also, as an example, when a spectrum is set as a peak parameter for a single component, the computer 20 sets a spectrum corresponding to the peak of the single component and a threshold value of similarity with the spectrum (hereinafter also referred to as a "fourth threshold value") as an identification condition for the single component. In the identification process, the computer 20 searches the target peak having a spectrum whose similarity with the spectrum corresponding to the peak of the single component is equal to or greater than the fourth threshold value from the target chromatogram, and identifies the target peak as the target peak corresponding to the single component. Note that the second threshold value set to determine whether or not the components in the reference chromatogram can be distinguished from each other and the fourth threshold value set to identify the corresponding component from the target chromatogram may be the same value or different values. Alternatively, the target component peak most similar to the spectrum of the base peak may simply be identified as the target peak corresponding to the single component.

[0042] On the other hand, if the computer 20 determines that the components cannot be distinguished (NO in S16), it determines in S19 that the first identification method cannot be set for the target component, sets the target component to be last in the setting order, and proceeds to S12. Note that the setting order refers to the order in which the identification methods are set in the setting process, and more specifically, the order in which the target components are selected in S14 and S24. In this embodiment, the computer 20 sets the identification order in the identification process (the order in which each component is identified) to be the order in which the identification methods were set.

[0043] The computer 20 repeats the processes of S14 to S19 until it has determined for all components whether they can be identified by the first identification method, and when the determination has been completed (YES in S12), the computer 20 proceeds to the process of S20 shown in FIG.

[0044] In S20, the computer 20 judges whether or not an identification method has been set for all the components. If it is judged that an identification method has been set for all the components (YES in S20), the computer 20 ends the setting process. The judgment in S20 that an identification method has been set for all the components means that the first identification method has been set for all the components. In addition, when the processes in S14 to S19 are performed according to the peak number (elution order), the identification order becomes the elution order.

[0045] If it is determined that the identification method has not been set (NO in S20), the computer 20 proceeds to the process of S22. The fact that the identification method for at least one component has not been set in S20 means that it has been determined that at least one component cannot be distinguished from other components based on the first priority peak parameters.

[0046] In S22, the computer 20 judges whether or not 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 an identification method has not been set. If it is judged that a judgment has been made (YES in S22), the computer 20 proceeds to the process of S30. If it is judged that a judgment has not been made (NO in S22), the computer 20 proceeds to the process of 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") different from the first priority peak parameter among the peak parameters.

[0047] In S24, one component for which no determination has been made among the remaining components for which no identification method has been set is selected, and the selected component is set as the target component. In S24, computer 20 sets one component for which no determination has been made as to whether it can be identified by the second identification method among the components determined to be indistinguishable from other components based on the first priority peak parameters, as the target component. Note that, when the processes in S14 to S19 are performed according to peak numbers (elution order), in S24, the target component is selected from the remaining components for which no identification method has been set, in the order of peak numbers.

[0048] 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 other components in S26 refer to components corresponding to the plurality of peak information acquired in S10, excluding components for which an identification method has been set and the target component set in S24. In other words, the other components in S26 refer to components for which an identification method has not been set, excluding the target component set in S24.

[0049] If it is determined that the components can be distinguished (YES in S26), the computer 20 proceeds to S28. On the other hand, if it is determined that the components cannot be distinguished (NO in S26), the computer 20 proceeds to S29. Note that the method for determining whether or not the target component can be distinguished from other components based on the peak parameters is the same as in S16, and therefore will not be described repeatedly.

[0050] The second priority peak parameter can be appropriately selected by the operator providing the chromatographic system 1 or a user from among one or more peak parameters that can be extracted from the component peak, and the peak parameter that is considered to represent the characteristics of the component peak next to the first priority peak parameter is selected.

[0051] When detector 14 is a PDA detector, by way of example, spectrum is selected as the first priority peak parameter and peak area percentage or peak height percentage is selected as the second priority peak parameter.

[0052] If the second priority peak parameter is not selected, computer 20 may determine that the target component cannot be distinguished from other components based on the second priority peak parameter, and proceed to S29. For example, if detector 14 is a mass spectrometer, the m / z of the base peak may be selected as the first peak parameter, and the second peak parameter may not be selected.

[0053] When it is determined that the components can be distinguished (YES in S26), the computer 20 sets the identification method of the target component to the second identification method based on the second priority peak parameters in S28, and proceeds to S22. Note that the identification method based on the peak parameters is common to S18, and therefore description thereof will not be repeated.

[0054] On the other hand, if the computer 20 determines that the components cannot be distinguished (NO in S26), it determines in S29 that the second identification method cannot be set for the target component, sets the target component to be last in the setting order, and proceeds to S22.

[0055] The computer 20 repeats the processes of S24 to S29 for all components that are determined to be indistinguishable from other components based on the first priority peak parameters until it has determined whether or not the second identification method can be set, and when it has completed the determination (YES in S22), it proceeds to S30.

[0056] The computer 20 repeats the processes of S24 to S29 for all remaining components for which the first identification method is not set, until it has determined whether or not they can be identified by the second identification method, and when it has completed the determination (YES in S22), it proceeds to S30.

[0057] In S30, the computer 20 judges whether or not an identification method is set for all components. If it is judged that an identification method is set (YES in S30), the computer 20 ends the setting process. The fact that an identification method is set for all components in S30 means that the first identification method or the second identification method is set for all components. In addition, the setting order of the component that is judged not to be identifiable by the first identification method in S19 is set last, and the computer 20 sets the identification order so that it is in the order in which the identification methods were set. Therefore, the identification order is set in the order of the component for which the first identification method is set, and the component for which the second identification method is set. In addition, when the processes in S14 to S19 are performed according to the peak number (elution order), if 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). Similarly, for the component for which the second identification method is set, if 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).

[0058] If it is determined that no identification method has been set (NO in S30), the computer 20 proceeds to the process of S32. The fact that no identification method has been set for at least one component in S30 means that it has been determined that at least one component cannot be distinguished from other components based on either the first priority peak parameter or the second priority peak parameter.

[0059] In S32, the computer 20 determines whether or not there is a component for which an identification method based on peak parameters is set. If it is determined that the identification method for at least one component that has been set is an identification method based on peak parameters (YES in S32), the computer 20 advances the process to S34.

[0060] In S34, computer 20 determines the identification method for each remaining component to be an identification method based on relative positional relationship (hereinafter also referred to as "third identification method"), and ends the setting process. The third identification method will be described later with reference to the third identification method. Note that the setting order of the component determined in S29 to be unable to be identified by the second identification method is set last, and computer 20 sets the identification order so that it is the order in which the identification methods were set. Therefore, the identification order is set 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. Note that in S34, when there are a plurality of remaining components for which no identification method is set, computer 20 may set the identification order of the remaining components to be the elution order (peak number).

[0061] If the computer 20 determines that there is no component for which an identification method based on peak parameters is set (NO in S32), i.e., if it determines that none of the components can be distinguished from other components based on the selected peak parameters (first priority peak parameters or second priority peak parameters), the computer 20 proceeds to S36.

[0062] In S36, the computer 20 sets the identification methods for 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.

[0063] As described above, the computer 20 sets an identification method for each of the multiple components according to predetermined conditions based on the peak information of the component. Therefore, a suitable identification method can be set according to the characteristics of the peaks corresponding to each component in the chromatogram obtained by analyzing the sample to be analyzed, without requiring trial and error by the user. As a result, an identification method can be easily set for each of the multiple components.

[0064] In this embodiment, the computer 20 sets the identification order in the order in which the identification methods were set. The computer 20 judges whether the first identification method can be set for all components, and sets the identification method of the components that can be set as the first identification method. After that, the computer 20 judges whether the second identification method can be set for all components for which it is determined that the first identification method cannot be set, and sets the identification method of the components that can be set as the second identification method. Then, the computer 20 sets the identification method of all components for which it is determined that neither the first identification method nor the second identification method can be set as the third identification method. Therefore, the identification order is 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.

[0065] Note that the setting process shown in Figures 2 and 3 is just an example, and computer 20 may set identification methods for multiple components in order, and after setting identification methods for all components, set the identification order so that the component peak for which the first identification method is set is the component peak for which the second identification method is set, and then the component peak for which the third identification method is set is the component peak for which the third identification method is set.

[0066] 2 and 3, the computer 20 uses two types of peak parameters to set a third identification method based on a relative positional relationship for a component that cannot be distinguished from other components by either peak parameter. The computer 20 may use one type of peak parameter to set a third identification method for a component that cannot be distinguished from other components by the peak parameter. That is, when the computer 20 determines that a determination has been made as to whether or not the first identification method can be set (YES in S12), the computer 20 may proceed to the process of S30 without executing S20 to S29.

[0067] Furthermore, the computer 20 may set a third identification method for a component that cannot be distinguished from other components by any of three or more peak parameters. In this case, when the computer 20 determines that it has been determined whether the second identification method can be set (YES in S22), it may determine whether an identification method based on a third priority peak parameter (a peak parameter that is considered to show the peak characteristic next to the first priority peak parameter and the second priority peak parameter) can be set for the remaining components for which an identification method has not been set. The determination method is common to S12 to S19 and S22 to S29, so the description will not be repeated. After completing the determination for all peak parameters, the computer 20 may proceed to the process of S30 and set the identification method for the remaining components for which an identification method has not been set to the third identification method based on the relative positional relationship or the fourth identification method based on the elution order. In this way, by increasing the number of settable identification methods, a more appropriate identification method can be set for each component.

[0068] [Settings information and setting screen] FIG. 4 is a diagram showing an example of a reference chromatogram. FIG. 5 is a diagram showing an example of a data structure of setting information. FIG. 6 is a diagram showing an example of a setting screen displayed on a display. The setting information 240 shown in FIG. 5 is obtained when a setting process is performed based on the peak information 248 extracted from the reference chromatogram G1 shown in FIG. 4. The setting screen 300 shown in FIG. 6 is created according to the setting information 240 shown in FIG. 4. Note that although the reference chromatogram G1 shown in FIG. 4 shows an example of a two-dimensional chromatogram showing the detection intensity against the retention time axis, a spectrum (e.g., a PDA spectrum) is acquired for each peak.

[0069] When eight peaks (P1 to P8) appear in the reference chromatogram G1 as shown in Fig. 4, peak information 248 is obtained for each of the eight components (peaks P1 to P8), and an identification method 244 and an identification order 246 are set for each of the eight components (peaks P1 to P8) as shown in Fig. 5. Note that the component name 242 may be set by the user or the computer 20 separately from the peak name (e.g., the peak number).

[0070] Referring to FIG. 6, setting screen 300 includes an area 310 in which a component name (e.g., a peak number) is displayed, an area 320 in which the identification method set for the component selected in area 310 is displayed, a button 330 for starting the setting process shown in FIGS. 2 and 3, a decision button 340, and a cancel button 350.

[0071] When button 330 is selected by moving pointer P via input device 40, computer 20 acquires peak information 248 for each component (each peak) extracted from the reference chromatogram shown in Fig. 4, and starts the setting process shown in Figs. 2 and 3 based on the acquired peak information 248. Computer 20 sets identification method 244 and identification order 246 for each component by executing the setting process. When the setting process is completed, setting screen 300 is updated according to identification method 244 and identification order 246 set by the setting process.

[0072] The component names of the peaks extracted from the reference chromatogram are displayed in the order of identification in the area 310. For example, in the example shown in Figures 5 and 6, the order of identification is set as P3, P8, P4, P7, P1, P2, P5, and P6.

[0073] The identification order can be changed by selecting and moving the button 312 on which the component names are displayed with the pointer P via the input device 40. After the identification order is changed, when the confirm button 340 is selected, the changed identification order is confirmed. That is, the computer 20 can execute a step of accepting an input of the identification order, and a step of deciding the identification order so that it matches the input order. That is, the identification order can be set arbitrarily by the user.

[0074] In the area 320, the identification method set for the component selected in the area 310 is displayed. In the area 320, the set peak parameters and a threshold value for determining whether or not the correspondence can be performed according to the peak parameters are displayed. When a pull-down button 322 displayed in the area 320 is selected, the settable peak parameters are displayed, and the user can change the peak parameters to be set. In addition, the user can input an arbitrary threshold value via the input device 40 in a text box 324 displayed in the area 320. In other words, the correspondence conditions in the identification process can be automatically set by the identification process, or can be arbitrarily set by the user for each component peak.

[0075] [Identification process] Fig. 7 is a flowchart showing a part of the identification process. Fig. 8 is a flowchart showing the remaining part of the identification process. The processing steps shown in Figs. 7 and 8 are realized by the processor 22 executing a program stored in the memory 24. The identification process is executed when a set of data for which identification is to be performed is selected via the input device 40 and an operation to start automatic identification is received. As described above, the set of data includes a plurality of analytical data obtained by analyzing the same sample under a plurality of mutually different analytical conditions.

[0076] In S40, the computer 20 acquires the setting information 240. The setting information 240 is information created by the setting process described above, and an identification method 244 and an identification order 246 are set for each component. The setting information 240 is stored for each set of data sets. The computer 20 acquires the setting information 240 by reading the setting information 240 corresponding to the selected data set from the memory 24.

[0077] In S42, the computer 20 judges whether or not the identification for all chromatograms is completed. If it is judged that the identification is completed (YES in S42), the computer 20 ends the identification process. If it is judged that the identification is not completed (NO in S42), the computer 20 advances the process to S44.

[0078] In S44, the computer 20 selects one chromatogram that has not yet been identified from among the chromatograms in the selected data set, and sets the selected chromatogram as a target chromatogram to be identified. The order of the chromatograms set as the target chromatogram may be any order. For example, if an ID number is assigned to each chromatogram, the computer 20 may set the target chromatogram in ascending order of ID number.

[0079] In S46, computer 20 determines whether identification has been completed for all components. If it is determined that identification has been completed (YES in S46), computer 20 proceeds to the process of S42 assuming that identification has been completed for the set target chromatogram, and if there is a chromatogram for which identification has not been completed (NO in S42), a new target chromatogram is set in S44. If it is determined that identification has not been completed (NO in S46), computer 20 proceeds to the process of S48.

[0080] In S48, the computer 20 selects one component for which identification processing has not been completed, and sets the selected component as the target component. The order in which the components are set as the target components follows the identification order set by the setting processing or the user operation.

[0081] In S50, computer 20 determines whether the identification method of the target component is an identification method based on peak parameters. If it is determined that the identification method is based on peak parameters (YES in S50), computer 20 proceeds to process S52. If it is determined that the identification method is not based on peak parameters (NO in S50), that is, if it is determined that the identification method is the third identification method based on the relative positional relationship, computer 20 proceeds to process S70 shown in FIG. 8.

[0082] In S52, the computer 20 filters the target peak on the target chromatogram according to the peak parameters and thresholds set for the target component. For example, when "spectrum" is set as the peak parameter, the computer 20 searches the target chromatogram for a target peak having a spectrum whose similarity to the spectrum of the target component is equal to or greater than a fourth threshold (e.g., 0.90) that is determined in advance.

[0083] In S54, computer 20 determines whether or not a candidate for a target peak corresponding to the target component exists. For example, if a spectrum whose similarity to the spectrum of the reference component is equal to or greater than a predetermined similarity threshold (e.g., 0.90) exists in the target chromatogram, computer 20 determines that a candidate for a target peak corresponding to the target component exists (YES in S54) and proceeds to S58. If a spectrum whose similarity to the spectrum of the reference component does not exist in the target chromatogram, computer 20 determines that a candidate for a target peak corresponding to the target component does not exist (NO in S54) and proceeds to S56.

[0084] In S56, the computer 20 determines that there is no target peak corresponding to the target component in the target chromatogram, and proceeds to S46 after completing the identification of the target component.

[0085] In S58, computer 20 determines whether or not there are multiple candidates. For example, if there are multiple spectra in the target chromatogram whose similarity to the spectrum of the target component is equal to or greater than a predetermined similarity threshold (e.g., 0.90), computer 20 determines that there are multiple candidates (YES in S58) and proceeds to S60. If there is only one spectrum in the target chromatogram whose similarity is equal to or greater than the similarity threshold, computer 20 determines that there are not multiple candidates (NO in S58) and proceeds to S62.

[0086] In S60, the computer 20 associates the target peak having the highest similarity in peak parameters from among the multiple candidates with the target component, completes identification of the target component, and proceeds to S46. For example, the computer 20 associates the target peak corresponding to the most similar spectrum with the target component. On the other hand, in an identification method based on peak parameters, the target peak having the highest similarity in peak parameters may be associated with the target component and identified without filtering using a threshold value.

[0087] In S62, the computer 20 associates one target peak present as a candidate with the target component, completes identification of the target component, and proceeds to S46. For example, the computer 20 associates a target peak corresponding to one spectrum having a similarity equal to or greater than a threshold value with the target component.

[0088] Incidentally, in the setting process, if it has been decided that the association should be based on the peak number (S36 in FIG. 3), the peak number is set as the peak parameter, and therefore the computer 20 executes the processes of S52 to S62.

[0089] If it is determined that the identification method is not based on the peak parameters (NO in S50), that is, if it is determined that the identification method is the third identification method based on the relative positional relationship, the computer 20 advances the process to S70 shown in FIG.

[0090] In S70, the computer 20 extracts from the reference chromatogram a peak of an identified component having a retention time closest to that of the peak of the target component in the reference chromatogram, and sets the extracted peak in the reference chromatogram as the first reference peak. The peak of the target component in the reference chromatogram is also referred to as the "second reference peak." As described with reference to FIGS. 2 and 3, the component for which the third identification method is set is set in the identification order after the component for which the first identification method or the second identification method is set, which is identified based on peak parameters. Therefore, the identification of the component for which the first identification method or the second identification method is set is completed before the component for which the third identification method is set.

[0091] 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.

[0092] In S74, the computer 20 extracts from the target chromatogram a target peak whose positional relationship with the first target peak is in accordance with the positional relationship between the first reference peak and the second reference peak. The positional relationship in accordance with the positional relationship between the first reference peak and the second reference peak is, for example, a positional relationship in accordance with the elution order (peak number). For example, the computer 20 extracts from the target chromatogram a target peak having a peak number obtained by subtracting the peak number of the second reference peak from the peak number of the first reference peak and subtracting the difference obtained by subtracting the peak number of the first target peak from the peak number of the first target peak.

[0093] In S76, computer 20 associates the extracted target peak with the target component, completes identification of the target component, and advances the process to S46. Specifically, when a second reference peak (a peak of the target component in the reference chromatogram) is located next to a first reference peak (a peak of an identified component in the reference chromatogram) in the reference chromatogram, computer 20 associates the target peak next to the first target peak (the target peak associated with the first reference peak) in the target chromatogram with the target component.

[0094] As described above, after identifying a target peak corresponding to a component that can be identified based on the peak parameters, computer 20 associates components that cannot be identified based on the peak parameters with the target peak based on their relative positional relationship.

[0095] Therefore, for components that cannot be identified based on peak parameters, it is possible to associate them with other components by taking into account their relationships with each other, allowing the identification process to proceed with greater accuracy than when identification is simply performed according to peak numbers.

[0096] In the example shown in Fig. 8, the first reference peak is set in the identification process. 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.

[0097] As described with reference to Figures 2 and 3, the first priority peak parameters are peak parameters that are considered to represent the characteristics of the component peaks more than the second priority peak parameters, so the first identification method is considered to have higher identification accuracy than the second identification method. Moreover, the third identification method is not an identification method that uses peak parameters that represent the peaks of each component, but is an identification method that is 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 derived from the component has higher identification accuracy than the third identification method.

[0098] 2 and 3, for each component peak, the computer 20 examines whether an identification method is possible in descending order of identification accuracy. Therefore, it is possible to identify each component peak with high accuracy.

[0099] As described with reference to Figures 2 and 3, the computer 20 sets the identification order 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. Therefore, when associating the components for which the second identification method is set, it is possible to narrow down candidates for the target peak to be associated with the components for which the second identification method is set, since the association of the components for which the first identification method is set has already been completed. This allows the identification process to proceed with higher accuracy. That is, in this embodiment, the computer 20 can set an appropriate identification order according to the identification method set for each component.

[0100] [Identification results] FIG. 9 is a diagram showing an example of an identification result. As an example, the display 30 displays the reference chromatogram G1, the chromatograms G2 and G3 to be identified, and a list T1 of peaks of the target chromatograms associated with each component. Note that the reference chromatogram G1 and the chromatograms G2 and G3 to be identified shown in FIG. 9 are shown as examples of two-dimensional chromatograms showing detection intensity against the retention time axis, but a spectrum (e.g., a PDA spectrum) is acquired for each peak. Also, the reference chromatogram G1 shown in FIG. 9 is the reference chromatogram G1 shown in FIG. 4, and the identification result shown in FIG. 9 will be described as being obtained by performing an identification process according to the setting information 240 shown in FIG. 5. Note that, in the example shown in FIG. 9, the reference chromatogram G1 is displayed to facilitate explanation, but the reference chromatogram G1 does not have to be displayed.

[0101] For example, the chromatogram G2 obtained under condition 2 is different from the reference chromatogram G1 and the chromatogram G3 in that the number of extracted component peaks is one more. In this case, if the correspondence is performed according to the elution order, the peak P7(2) in the chromatogram G2 will be associated with the component P7. However, as can be seen by comparing the reference chromatogram G1 and the chromatogram G2, it may be more appropriate to associate the peak P8(2) with the component P7 in terms of the peak area ratio and the relative positional relationship with other peaks.

[0102] In such cases, the identification accuracy can be improved by first identifying components that can be identified based on peak parameters, and then setting the peaks to correspond to each other based on their relative positional relationship with the components that have already been identified.

[0103] [Aspects] It will be understood by those skilled in the art that the above-described embodiments are specific examples of the following aspects.

[0104] (Item 1) A setting method according to one embodiment is executed by a computer to set an identification method for each of a plurality of components. 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, it is determined whether or not each component corresponds to one of a plurality of target peaks included in a target chromatogram to be identified according to the identification method set for each of the plurality of components, thereby identifying a plurality of target peaks corresponding to each of the plurality of components. The setting method includes a step of acquiring the plurality of peak information, a step of determining whether or not 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 the peak included in each of the peak information, a step of setting the identification method for 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 a step of setting the identification method for 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.

[0105] According to the setting method described in paragraph 1, the computer sets the identification method for each of the multiple components according to predetermined conditions based on the peak information of the component. Therefore, it is possible to set an appropriate identification method according to the characteristics of the peak corresponding to each component in the reference chromatogram without requiring trial and error by the user. As a result, it is possible to easily set an identification method for each of the multiple components.

[0106] (Item 2) In the setting method described in item 1, the step of determining whether or not the components can be distinguished based on the first peak parameter includes a step of comparing a value of the first peak parameter included in peak information of a first component among the multiple components with a value of the first peak parameter included in peak information of components other than the first component among the multiple peak information, and determining whether or not a component exists whose difference from the value of the first peak parameter of the first component is smaller than a first threshold value; a step of determining that the first component can be distinguished based on the first peak parameter when it is determined that no component exists whose difference is smaller than the first threshold value; and a step of determining that the first component cannot be distinguished based on the first peak parameter when it is determined that a component exists whose difference is smaller than the first threshold value.

[0107] (Clause 3) In the setting method according to the clause 1, the first peak parameter is a spectrum corresponding to the peak. The step of determining whether or not the peaks can be distinguished based on the first peak parameter includes the steps of: comparing a first spectrum included in peak information of a first component among the multiple components with a spectrum included in peak information of a component other than the first component among the multiple peak information, and determining whether or not a spectrum having a similarity to the first spectrum greater than a second threshold value is present; determining that the first component can be distinguished based on the first peak parameter when it is determined that no spectrum having a similarity greater than the second threshold value is present; and determining that the first component cannot be distinguished based on the first peak parameter when it is determined that a spectrum having a similarity greater than the second threshold value is present.

[0108] (Item 4) In the setting method according to any one of items 1 to 3, the step of setting as the other identification method includes a step of determining, based on a second peak parameter indicating a characteristic of a peak included in the peak information, whether a second component among the multiple components that cannot be distinguished based on the first peak parameter can be distinguished from other components other than the second component and the multiple components that can be distinguished based on the first peak parameter; a step of 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 the other identification method; and a step of 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 the other identification method.

[0109] According to the setting method described in paragraph 4, for each component peak, among components that cannot be distinguished from other components based on the first peak parameter, the identification method for a component that can be distinguished based on another second peak parameter is set to the second identification method, and the identification method for a component that cannot be distinguished based on the second peak parameter is set to the third identification method. Therefore, the number of settable identification methods increases, and a more appropriate identification method can be set according to the component.

[0110] (Item 5) In the setting method according to any one of items 1 to 3, the target chromatogram is obtained by chromatographically analyzing a sample under analysis conditions different from the analysis conditions when the reference chromatogram was obtained. Another identification method is a method based on the positional relationship between a first reference peak corresponding to a third component for which a first identification method is set in the reference chromatogram and a second reference peak corresponding to a fourth component for which another identification method is set. Another identification method is a method of identifying, as the fourth component, a component of a second target peak included in a target chromatogram whose positional relationship with a first target peak associated with the third component among a plurality of target peaks included in the target chromatogram is in accordance with the positional relationship between the first reference peak and the second reference peak.

[0111] According to the setting method described in paragraph 5, an identification method based on a relative positional relationship is set for a component that cannot be identified based on the first peak parameter. Therefore, for a component that cannot be identified based on the first peak parameter, the component can be associated with the component in consideration of the relationship with other components, and therefore the identification method can be set so that identification can be performed with higher accuracy than when identification is simply performed according to the elution order or the like.

[0112] (Item 6) In the setting method according to any one of Items 1 to 5, a plurality of target peaks corresponding to the plurality of components are identified according to a predetermined identification order for the plurality of components. The setting method further includes a step of determining an identification order such that it is determined whether or not the component for which the first identification method is set can be identified with respect to one of the plurality of target peaks prior to the components for which the other identification methods are set.

[0113] According to the setting method described in paragraph 6, when associating components for which other identification methods are set, it is possible to narrow down candidates for target peaks to be associated with components for which other identification methods are set, because association of components for which the first identification method is set has already been completed. Therefore, it is possible to set an appropriate identification order according to the identification method set for each component.

[0114] (Item 7) In the setting method according to any one of items 1 to 6, a plurality of target peaks corresponding to each of the plurality of components are identified according to a predetermined identification order for the plurality of components. The setting method further includes a step of receiving an input of the identification order, and a step of determining the identification order so that the identification order is the order in which the input is received.

[0115] According to the setting method described in paragraph 7, the user can arbitrarily set the identification order. (Item 8) A setting device according to one embodiment is a setting device for setting an identification method for each of a plurality of components. 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, a determination is made as to whether or not each component corresponds to one of a plurality of target peaks included in a target chromatogram to be identified according to an identification method set for each of the plurality of components, thereby identifying a plurality of target peaks corresponding to each of the plurality of components. The setting device includes a processor and a memory storing a program executable by the processor. The processor acquires the plurality of peak information, and determines whether or not 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 of the peak information, and sets an identification method for 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 sets an identification method for 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.

[0116] (Item 9) A program according to one aspect causes a processor of a computer to execute the setting method according to any one of items 1 to 7.

[0117] According to the setting device described in paragraph 8 or the program described in paragraph 9, the processor sets an identification method for each of the multiple components according to predetermined conditions based on peak information of the component. Therefore, a suitable identification method can be set according to the characteristics of the peak corresponding to each component in the reference chromatogram without requiring trial and error by the user. As a result, an identification method can be easily set for each of the multiple components.

[0118] The embodiments disclosed herein are also intended to be combined as appropriate within the scope of technical inconsistency. The embodiments disclosed herein should be considered to be illustrative and not restrictive in all respects. The scope of the present invention is indicated by the claims, not the description of the above embodiments, and is intended to include all modifications within the scope and meaning equivalent to the claims. [Explanation of symbols]

[0119] 1 chromatographic system, 10 analytical device, 12 chromatograph, 14 detector, 16 control device, 20 computer, 22 processor, 24 memory, 26 input / output I / F, 30 display, 40 input device, 240 setting information, 242 component name, 244 identification method, 246 identification order, 248 peak information, 300 setting screen, G1 reference chromatogram, G1, G2 chromatograms.

Claims

1. 1. A computer-implemented method for configuring an identification method for each of a plurality of components, comprising: 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 the plurality of components, a determination is made as to whether or not each of the plurality of components corresponds to one of a plurality of target peaks included in a target chromatogram to be identified in accordance with an identification method set for each of the plurality of components, thereby identifying the plurality of target peaks corresponding to each of the plurality of components; The setting method includes: acquiring the plurality of peak information; determining whether or not one component among the plurality of components can be distinguished from other components based on a value of a first peak parameter indicating a characteristic of the peak included in each piece of peak information; setting an identification method for a component that can be distinguished from other components based on the first peak parameter among the plurality of components as a first identification method based on the first peak parameter; a step of setting an identification method for a component that cannot be distinguished from other components based on the first peak parameter among the plurality of components to an identification method different from the first identification method.

2. The step of determining whether or not the first peak parameters can be distinguished based on the first peak parameters includes: a step of comparing a value of the first peak parameter included in the peak information of a first component among the plurality of components with a value of the first peak parameter included in peak information of a component other than the first component among the plurality of peak information, and determining whether or not there is a component whose difference from the value of the first peak parameter of the first component is smaller than a first threshold value; determining that the first component can be distinguished based on the first peak parameter when it is determined that there is no component having the difference smaller than the first threshold value; The setting method according to claim 1 , further comprising: when it is determined that a component exists in which the difference is smaller than the first threshold value, determining that the first component cannot be distinguished based on the first peak parameter.

3. The first peak parameter is a spectrum corresponding to a peak, The step of determining whether or not the first peak parameters can be distinguished based on the first peak parameters includes: comparing a first spectrum included in the peak information of a first component among the plurality of components with a spectrum included in peak information of a component other than the first component among the plurality of peak information, and determining whether or not there is a spectrum having a similarity to the first spectrum that is greater than a second threshold value; determining that the first component can be distinguished based on the first peak parameter when it is determined that there is no spectrum having the similarity greater than the second threshold value; The setting method according to claim 1 , further comprising: determining that the first component cannot be distinguished based on the first peak parameter when it is determined that a spectrum exists in which the similarity is greater than the second threshold value.

4. The step of setting another identification method includes: determining whether or not a second component, which is indistinguishable from the plurality of components based on the first peak parameter, can be distinguished from other components other than the second component and a component, which is indistinguishable from the plurality of components based on the first peak parameter, based on a second peak parameter indicating a characteristic of a 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 parameters to a second identification method based on the second peak parameters as the other identification method; and setting an identification method of the second component that cannot be distinguished from other components based on the second peak parameter as a third identification method as the other identification method.

5. the target chromatogram is obtained by chromatographically analyzing the sample under analysis conditions different from the analysis conditions under which the reference chromatogram was obtained; The other identification method includes: a method based on a positional relationship between a first reference peak corresponding to a third component for which the first identification method is set and a second reference peak corresponding to a fourth component for which the other identification method is set in the reference chromatogram, The setting method according to any one of claims 1 to 3, wherein the fourth component is identified as a component of a second target peak included in the target chromatogram, the component of which has a positional relationship with a first target peak corresponding to the third component among the plurality of target peaks included in the target chromatogram that conforms to the positional relationship between the first reference peak and the second reference peak.

6. the plurality of target peaks corresponding to the plurality of components are identified according to a predetermined identification order for the plurality of components; The setting method according to any one of claims 1 to 3, further comprising a step of determining the identification order such that it is determined whether or not the component for which the first identification method is set can be identified with respect to one target peak among the plurality of target peaks prior to the components for which the other identification methods are set.

7. the plurality of target peaks corresponding to the plurality of components are identified according to a predetermined identification order for the plurality of components; receiving an input of the identification order; The setting method according to any one of claims 1 to 3, further comprising the step of determining the identification order so as to correspond to the order in which the inputs were received.

8. A setting device for setting an identification method for each of a plurality of components, 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 the plurality of components, a determination is made as to whether or not each of the plurality of components corresponds to one of a plurality of target peaks included in a target chromatogram to be identified in accordance with an identification method set for each of the plurality of components, thereby identifying the plurality of target peaks corresponding to each of the plurality of components; The setting device includes: A processor; A memory in which a program executable by the processor is stored, The processor, acquiring the plurality of peak information; determining whether or not one component among the plurality of components can be distinguished from other components based on a value of a first peak parameter indicating a characteristic of the peak included in each piece of peak information; setting an identification method for a component that can be distinguished from other components based on the first peak parameter among the plurality of components as a first identification method based on the first peak parameter; a setting device that sets an identification method for a component that cannot be distinguished from other components based on the first peak parameter among the plurality of components to an identification method different from the first identification method.

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