Chromatographic analysis device and chromatographic analysis program

Abstract

To enable quantification results, etc., to be efficiently confirmed by simple work.SOLUTION: One aspect of the present invention is a chromatograph analyzer that conducts measurement on multiple kinds of compounds regarding each of a plurality of specimens, the chromatograph analyzer comprising: an analysis processing unit (22) that calculates, for each specimen, numeric information that represents analysis results about the multiple kinds of compounds, on the basis of data obtained by measurement; a table creation unit (230) that creates a two-dimensional table by arranging specimen information and compound information in one and the other of vertical horizontal directions and allocating numerical information obtained for a combination of one specimen and one compound to one cell; a cell selection acceptance unit (231) that displays the table on the screen of a display unit and accepts selection of one or a plurality of cells that corresponds to user operation on the displayed table; and selected information output units (232, 233) that output or display the numerical information in the accepted cell in a prescribed format, together with the specimen information and compound information that correspond to the cell.SELECTED DRAWING: Figure 1

Description

[Technical Field]

[0001] The present invention relates to a chromatographic analyzer and a computer program for use with the chromatographic analyzer, which includes liquid chromatographs (LC), gas chromatographs (GC), liquid chromatograph mass spectrometers (LC-MS), gas chromatograph mass spectrometers (GC-MS), and supercritical fluid chromatographs (SFC). [Background technology]

[0002] In recent years, quantitative analysis of multiple samples and components using LC-MS and GC-MS has been used in various fields, such as testing for pesticide residues in food, testing for contaminants in environmental water, pharmacokinetic studies in pharmaceutical development, and clinical testing. Generally, the amount of measurement data, such as chromatograms, obtained from multi-sample, multi-component analysis, and the quantitative results obtained by quantitative analysis of such measurement data are quite large. Therefore, to improve the efficiency of analytical work, allowing users to confirm and verify multi-sample, multi-component measurement and quantitative results, it is important to display measurement and quantitative results in a manner that is easy to operate, efficient, and less prone to errors or oversights.

[0003] To meet these demands, multi-analyte quantification support software, as described in Non-Patent Documents 1 and 2, etc., has been commercialized. As disclosed in Non-Patent Documents 1 and 2 and Patent Document 1, etc., this multi-analyte quantification support software creates a table in which numerical information such as peak area values ​​and quantitative values ​​is arranged in each cell of a two-dimensional table in which information about different samples (e.g., sample names) is arranged in the row direction (horizontal direction) and information about different compounds (e.g., compound names) is arranged in the column direction (vertical direction), and the table is displayed on the screen of a display unit. By displaying such a table, a user can check numerical information such as quantitative values ​​for each combination of a large number of samples and a large number of compounds at a glance. [Prior art documents] [Patent documents]

[0004] [Patent Document 1] International Patent Publication No. 2017 / 002156 [Non-patent literature]

[0005] [Non-Patent Document 1] "LabSolutions Insight: Multi-analyte quantification support software for GC / MS & LC / MS," [Online], Shimadzu Corporation, [Retrieved February 1, 2022], Internet<URL:https: / / www.an.shimadzu.co.jp / data-net / labsolutions / labsolutions-insight / features.htm> [Non-patent document 2] "LabSolutions Insight GCMS Multi-analyte Quantitation Support Software," [Online], Shimadzu Corporation, [Retrieved February 1, 2022], Internet<URL:https: / / www.an.shimadzu.co.jp / gcms / insight.htm> Summary of the Invention [Problem to be solved by the invention]

[0006] In multi-analyte, multi-component analysis, quantitative result tables like those described above are typically quite large in both row and column count, but users often focus on only a portion of them. The results users focus on vary depending on the purpose of the measurement and the type of sample, and it is often difficult to narrow down the results by simple criteria such as whether a quantitative value exceeds a certain standard. For example, users may focus on quantitative values ​​corresponding to a specific sample and specific compound combination, such as samples with significantly higher or lower concentrations of a certain compound compared to other samples, or compounds with significantly higher or lower concentrations in a certain sample compared to other compounds. Users may want to extract only this specific numerical information and save it as a report or a data file on a computer. Conventional multi-analyte quantitative support software also allows for the use of filtering functions to output, for example, the quantitative values ​​of all compounds obtained for a specific sample, or the quantitative values ​​of a specific compound obtained for all samples.

[0007] However, these functions often include unnecessary information in the output, in addition to the information the user is interested in. This makes checking quantitative results time-consuming, leading to inefficiencies and potential for errors such as oversights or oversights. In particular, reports output as paper or electronic document files often include not only quantitative results but also the chromatogram peak waveforms and calibration curves used in the quantitative calculations. If there is a lot of unnecessary information, it can be quite time-consuming to find the information you want. Furthermore, this excessive amount of unnecessary information increases the number of pages in the report, making it difficult to handle, and incurs unnecessary costs whether the report is printed on paper or stored electronically.

[0008] The present invention has been made in consideration of these problems, and its main object is to provide a chromatographic analyzer and a computer program for chromatographic analysis that allow a user to efficiently confirm desired measurement results, quantification results, etc. through simple operations and reduce operational errors during confirmation. [Means for solving the problem]

[0009] One aspect of the chromatographic analyzer according to the present invention, which has been made to solve the above problems, is a chromatographic analyzer that performs measurements of a plurality of types of compounds for a plurality of samples, each of which includes: an analysis processing unit that calculates, for each sample, numerical information that is an analysis result for a plurality of types of compounds based on data obtained by measurement; a table creation unit that creates a two-dimensional table by arranging sample information for identifying samples and compound information for identifying compounds in one of the vertical and horizontal directions and allocating numerical information obtained for a combination of one sample and one compound to one cell; a cell selection receiving unit that displays the table on a screen of a display unit and receives selection of one or more cells in the displayed table in response to a user operation; a selection information output unit that outputs or displays the numerical information in the cells received by the cell selection receiving unit in a predetermined format together with sample information and compound information corresponding to the cells; It is equipped with the following.

[0010] One aspect of the chromatographic analysis program according to the present invention is a data processing program used in a chromatographic analyzer that performs measurements of multiple types of compounds for multiple samples, the program comprising: an analysis processing step of calculating, for each sample, numerical information that is an analysis result for a plurality of types of compounds based on data obtained by measurement; a table creation step of creating a two-dimensional table by arranging sample information identifying samples and compound information identifying compounds in one of the vertical and horizontal directions and allocating numerical information obtained for a combination of one sample and one compound to one cell; a cell selection receiving step of displaying the table on a screen of a display unit and receiving selection of one or more cells on the displayed table in response to a user operation; a selection information output step of outputting or displaying the numerical information in the cells accepted in the cell selection acceptance step together with sample information and compound information corresponding to the cells in a predetermined format; This is what causes the following to be executed. [Effects of the Invention]

[0011] According to the above-described aspects of the chromatographic analysis apparatus and chromatographic analysis program of the present invention, a user (operator) can simply select a cell showing the numerical information of interest in a table displayed on the screen of the display unit to create a data file or report containing only the numerical information of interest and the corresponding sample and compound information, and then display the report. Because the extracted information does not include unnecessary information that the user is not interested in, the user can efficiently confirm analytical results such as quantitative results. Furthermore, operational errors such as oversights and misreadings can be reduced. Furthermore, the number of pages in a report and the amount of data in an electronic report file are reduced compared to conventional methods, making them easier to handle and reducing costs. [Brief explanation of the drawings]

[0012] [Figure 1] 1 is a schematic diagram of an LC-MS system according to one embodiment of the present invention. [Figure 2] 1 is a flowchart showing an example of the procedure and processing for exporting quantitative results in the LC-MS system of this embodiment. [Figure 3] FIG. 2 is a diagram showing an example of a quantitative result list table displayed in the LC-MS system of the present embodiment. [Figure 4] FIG. 2 is a diagram showing an example of an export condition setting screen in the LC-MS system of the present embodiment. [Figure 5] FIG. 10 is a diagram showing an example of an export result display in the LC-MS system of this embodiment. [Figure 6]FIG. 2 is a diagram showing an example of a report condition setting screen in the LC-MS system of the present embodiment. [Figure 7] FIG. 2 is a diagram showing an example of a report created in the LC-MS system of the present embodiment. DETAILED DESCRIPTION OF THE INVENTION

[0013] An LC-MS system, which is one embodiment of a chromatographic analyzer according to the present invention, will now be described with reference to the accompanying drawings.

[0014] FIG. 1 is a schematic diagram of the LC-MS system of this embodiment. This LC-MS system includes a measurement unit 1 , a data processing unit 2 , an operation unit 3 , a display unit 4 , and a printing unit 5 .

[0015] The measurement unit 1 includes an autosampler 10 that has the function of selecting a large number of pre-prepared samples in a predetermined order, a liquid chromatograph (LC) unit 11 that temporally separates compounds contained in the samples, and a mass spectrometer (MS) unit 12 that ionizes and detects the compounds. Note that, although the MS unit 12 is described here as a single-type quadrupole mass spectrometer, a tandem mass spectrometer such as a triple quadrupole mass spectrometer or a quadrupole-time-of-flight mass spectrometer can also be used.

[0016] The data processing unit 2 includes, as functional blocks, a data storage unit 20, a chromatogram creation unit 21, a quantitative analysis unit 22, an analysis work support unit 23, a report creation unit 24, and a display / print processing unit 25. The analysis work support unit 23 includes, as subordinate functional blocks, a result list table creation unit 230, a cell selection reception unit 231, an output format setting unit 232, and a selection result output unit 233.

[0017] The data processing unit 2 can be configured to use a personal computer including a CPU, RAM, ROM, etc. as hardware, and to realize at least part of its functions by executing dedicated data processing software (computer program) installed on the computer.

[0018] The computer program can be provided to the user by being stored on a non-transitory computer-readable recording medium, such as a CD-ROM, DVD-ROM, memory card, or USB memory (dongle). The program can also be provided to the user in the form of data transfer via a communication line such as the Internet. Furthermore, the program can be pre-installed on a computer that is part of the system (strictly speaking, a storage device that is part of the computer) when the user purchases the system.

[0019] First, we will briefly explain the measurement operation in the measurement unit 1 when performing quantitative analysis of multiple samples and multiple components in the LC-MS system of this embodiment. In this case, multiple (usually a large number of) compounds to be measured are predetermined, and the retention time and the mass-to-charge ratio m / z of the ions to be measured are known for each compound. In other words, this information is given in advance.

[0020] A large number of samples (analytes) are loaded into the autosampler 10, and under the control of a control unit (not shown), the autosampler 10 selects the samples in a predetermined order and sends the selected samples to the LC unit 11. Although not shown, in the LC unit 11, a liquid delivery pump delivers a mobile phase to the column at a substantially constant flow rate, and an injector injects a predetermined amount of sample into the mobile phase at a predetermined timing. The injected sample is introduced into the column with the flow of the mobile phase, and the compounds in the sample are separated over time as they pass through the column.

[0021] The eluate exiting the column is introduced into the MS section 12. Although not shown, in the MS section 12, an ion source ionizes compounds in the eluate. The generated ions are separated according to their m / z values ​​by a quadrupole mass filter, and ions having specific m / z values ​​are selected and detected by an ion detector. The detection signal from the ion detector is converted into a digital signal, sent to the data processing section 2, and stored in the data storage section 20.

[0022] During multicomponent quantitative analysis, the quadrupole mass filter in the MS unit 12 is driven to selectively pass ions having m / z values ​​corresponding to the target compound within a predetermined time range around the retention time at which the target compound is introduced into the MS unit 12. That is, for each of the multiple target compounds, a selected ion monitoring (SIM) measurement is performed on the ions corresponding to each target compound. After the LC / MS measurement for one sample within the predetermined measurement time range is completed, the autosampler 10 selects the next sample and sends it to the LC unit 11. The LC unit 11 and the MS unit 12 then repeat the LC / MS measurement described above. Note that when a tandem mass spectrometer is used as the MS unit 12, instead of a SIM measurement, a multiple reaction monitoring (MRM) measurement targeting the MRM transition corresponding to the target compound may be performed.

[0023] In this way, measurement data showing the time change in intensity of ions having specific m / z values ​​in a predetermined time range around the retention times corresponding to a large number of target compounds for each sample, that is, measurement data constituting an extracted ion chromatogram (EIC), are stored in the data storage unit 20. This measurement data is used to perform quantitative calculations for the target compounds.

[0024] Next, the quantitative analysis of multiple samples and multiple components performed in the data processing unit 2 will be described. In the data processing unit 2, the chromatogram creation unit 21 reads the measurement data corresponding to each sample from the data storage unit 20 and creates an extracted ion chromatogram for each target compound. When a target compound is contained in a sample, a peak appears in the extracted ion chromatogram corresponding to that target compound. The quantitative analysis unit 22 performs peak detection processing on each extracted ion chromatogram, and if a peak is detected, calculates the peak area (or peak height). The quantitative analysis unit 22 calculates the concentration value for each target compound from the peak area value by referring to a calibration curve created by analyzing a standard sample. As a result, the concentration value for each target compound is determined as a quantitative value for each sample.

[0025] The quantitative analysis unit 22 stores various kinds of numerical information, such as the concentration value calculated for each target compound, the peak area value determined in the process, and the retention time determined from the position of the peak top, in the data storage unit 20, in association with the measurement data or in the same file or folder as the measurement data. The quantitative analysis process by the quantitative analysis unit 22 may be performed in a batch manner after all measurements for a large number of samples have been completed, or may be performed in a batch manner after all measurements for a large number of samples have been completed. of It may be performed sequentially when the measurements of some of the samples have been completed (that is, during a series of measurements).

[0026] In any case, when the quantitative analysis of multiple samples and multiple components is completed, a large amount of measurement data and quantitative results for multiple samples will be stored in the data storage unit 20. In this state, the characteristic analysis processing that is carried out mainly by the analysis work support unit 23 will be described with reference to Figures 2 to 7.

[0027] Fig. 2 is a flowchart showing an example of the procedure and processing for exporting quantification results in the LC-MS system of this embodiment. Fig. 3 is a diagram showing an example of a quantification result list table, Fig. 4 is a diagram showing an example of an export condition setting screen, Fig. 5 is a diagram showing an example of an export result display, Fig. 6 is a diagram showing an example of a report condition setting screen, and Fig. 7 is a diagram showing an example of a report.

[0028] When the user issues an instruction via the operation unit 3 to display all the quantitative results for a series of multiple samples at once, the result list table creation unit 230 creates a quantitative result list table that lists numerical information such as concentration values ​​corresponding to a combination of one sample and one compound, based on the information read from the data storage unit 20. The display / print processing unit 25 displays an analysis screen including the quantitative result list table on the screen of the display unit 4 (step S1).

[0029] As shown in FIG. 3, the quantitative results table is a matrix table with sample information arranged horizontally and compound information arranged vertically, or vice versa, with compound information arranged horizontally and sample information arranged vertically. Each cell contains numerical information for a combination of one sample and one compound. In the example shown in FIG. 3, the sample information is Sample 1, Sample 2, ..., and the compound information is Compound A, Compound B, .... However, the sample information may be any information that can identify the sample, such as the sample name or sample number, and the compound information may be any information that can identify the compound, such as the compound name, compound number (serial number), or CAS registry number. While the numerical information in each cell is a concentration value, other numerical information, such as peak area or peak top retention time, may be displayed instead.

[0030] In addition to the quantitative result list table, the analysis screen including the table can also display other information, such as the peak waveform of an extracted ion chromatogram corresponding to a specific sample and compound combination selected on the table, and a calibration curve used for the quantitative analysis.

[0031] The quantitative result list table displays numerical information for all combinations of samples and compounds, but in many cases, users only focus on a portion of the information. Therefore, users often want to extract only the numerical information for the combinations of interest and create a separate table, or create a report of analysis results that includes such information. In this case, the user uses the operation unit 3, which is a pointing device such as a mouse, to select and instruct by clicking on any cell that indicates the combination (or concentration value) of interest in the quantitative result list table displayed on the screen (step S2). Of course, if the display unit 4 is a touch panel display, the user can also select and instruct by directly touching the display with their finger without using the operation unit 3.

[0032] Any number of cells can be selected here. In addition to selecting a cell by clicking within it, multiple cells can also be selected at once by, for example, holding down a button on a mouse or the like and dragging across multiple adjacent cells, or by performing some other predetermined operation.

[0033] Figure 3 shows three selected cells: [Sample 2 × Compound A], [Sample 3 × Compound B], and [Sample 4 × Compound C]. The selected cells are highlighted so that they can be easily distinguished visually from the other cells.

[0034] To export the numerical information in the selected cells and create a new table, the user selects one or more cells as described above and clicks the export button on the analysis screen (step S3). In response to this instruction, the output format setting unit 232 displays an export setting screen 6, such as the one shown in Fig. 4, superimposed on the analysis screen (step S4).

[0035] The export settings screen 6 is a screen for setting the conditions for exporting the numerical information listed in the quantitative results list table, and as shown in Figure 4, it is arranged with an output destination selection area 60, an output format selection area 61, an output information selection area 62, and an execute button 63. Two output destination options are available: "Copy to clipboard," which is a temporary storage area on the computer, or "Output to file." If output to a file is desired, the user selects "Output to file" and then enters a file name. In the example of Figure 4, "Copy to clipboard" is selected as the output destination.

[0036] In the output format selection area 61, it is possible to select output of a text file using tabs as delimiters, output of a text file using commas as delimiters (CSV format), etc. Also, as described above, if the user wants to output only information about the selected cell, the user can select output information Selection Area 6 2 In step S5, the user selects "selected results," but it is also possible to output the results of all cells, or to output the results of only specific checked samples or compounds (all the results of one row or all the results of one column in the quantitative results list table). The user selects these export conditions (step S5) and clicks the execute button 63.

[0037] In response to the operation of the execute button 63, the selection result output unit 233 exports the sample information, compound information, and concentration value in the cell corresponding to the cell selected in the quantitative result list table to the clipboard or a file in accordance with the conditions set on the export setting screen 6 (step S6).

[0038] For example, when the text file output to the clipboard is imported and displayed in spreadsheet software such as Microsoft Excel, a table can be displayed in which only the concentration value in the selected cell is entered, with the other cells left blank, as shown in Figure 5. Furthermore, the table display format can be selected as appropriate, such as displaying a table in a format in which all cells corresponding to sample information or compound information that do not display concentration values ​​are deleted. In this way, only the information the user is interested in is displayed, allowing for efficient analysis work and preventing misreading or misinterpretation of displayed values, thereby reducing analysis errors.

[0039] On the other hand, if the user wishes to create a report using the numerical information in the cells selected in step S2, the user clicks the report creation button on the analysis screen in step S3 with one or more cells selected as described above. In response to this instruction, the output format setting unit 232 displays a report condition setting screen 7, such as the one shown in Fig. 6, superimposed on the analysis screen.

[0040] The report condition setting screen 7 is a screen for setting the conditions for creating a report including the numerical information listed in the quantitative results list table (strictly speaking, creating a document file similar to printing), and as shown in Figure 6, it has a data selection area 70 and an execute button 71. There are several options for data selection, such as "highlighted samples," and if you want to use only the concentration values ​​in the selected cells in the report, you can select "highlighted samples and compounds only," as shown in Figure 6. The user then clicks the execute button 71.

[0041] In response to the operation of the execute button 71, the report creation unit 24 creates a report in a predetermined format, such as a document file in PDF format, including the sample information, compound information, and concentration values ​​in the cell corresponding to the cell selected in the quantitative result list table. When the created document file is displayed using predetermined software, a report is displayed, including a concentration value table summarizing the sample information, compound information, and concentration values ​​in the selected cell, as well as the peak waveform of the extracted ion chromatogram from which each concentration value was calculated, as shown in FIG. 7 . In this way, a report can be created that includes only the information of interest to the user. Information to be included in the report can be added or deleted as appropriate, and the report format is not limited to the example shown above.

[0042] As described above, in the LC-MS system of this embodiment, by performing simple operations on the quantitative result list table that summarizes numerical information such as concentration values, the user can export only the sample information, compound information, and numerical information corresponding to an appropriately selected cell as text data, or create a report that includes only this information.

[0043] Although the above embodiment is an application of the present invention to an LC-MS, it is clear that the present invention can be applied to any chromatographic device that can acquire a chromatogram and perform quantitative analysis based on the chromatogram. That is, the present invention can be widely applied to not only LC-MS but also GC-MS, LC, GC, SFC, etc.

[0044] Furthermore, since the above-described embodiments and the various modified examples are all examples of the present invention, it is natural that any modifications, changes, or additions made within the spirit of the present invention will also be encompassed within the scope of the claims of the present application.

[0045] [Various aspects] It will be apparent to those skilled in the art that the above-described exemplary embodiments are examples of the following aspects.

[0046] (Item 1) One aspect of the chromatographic analyzer according to the present invention is a chromatographic analyzer that performs measurements of multiple types of compounds in multiple samples, each of which is a target, and includes: an analysis processing unit that calculates, for each sample, numerical information that is an analysis result for a plurality of types of compounds based on data obtained by measurement; a table creation unit that creates a two-dimensional table by arranging sample information for identifying samples and compound information for identifying compounds in one of the vertical and horizontal directions and allocating numerical information obtained for a combination of one sample and one compound to one cell; a cell selection receiving unit that displays the table on a screen of a display unit and receives selection of one or more cells in the displayed table in response to a user operation; a selection information output unit that outputs or displays the numerical information in the cells received by the cell selection receiving unit in a predetermined format together with sample information and compound information corresponding to the cells; It is equipped with the following.

[0047] The chromatographic analyzer described in paragraph 1 includes a liquid chromatographic analyzer, a gas chromatographic analyzer, a liquid chromatographic mass spectrometer, a gas chromatographic mass spectrometer, and a supercritical fluid chromatographic analyzer.

[0048] (Item 6) One aspect of the chromatographic analysis program according to the present invention is a data processing program used in a chromatographic analyzer that performs measurements of multiple types of compounds for multiple samples, the program comprising: an analysis processing step of calculating, for each sample, numerical information that is an analysis result for a plurality of types of compounds based on data obtained by measurement; a table creation step of creating a two-dimensional table by arranging sample information identifying samples and compound information identifying compounds in one of the vertical and horizontal directions and allocating numerical information obtained for a combination of one sample and one compound to one cell; a cell selection receiving step of displaying the table on a screen of a display unit and receiving selection of one or more cells on the displayed table in response to a user operation; a selection information output step of outputting or displaying the numerical information in the cells accepted in the cell selection acceptance step together with sample information and compound information corresponding to the cells in a predetermined format; This is what causes the following to be executed.

[0049] According to the chromatographic analysis device described in paragraph 1 and the chromatographic analysis program described in paragraph 6, a user (operator) can simply select a cell showing the numerical information of interest in a table displayed on the screen, thereby creating a data file or report from which only the numerical information of interest has been extracted, and further displaying such information. Since the extracted information does not contain unnecessary information that the user has not focused on, measurement results, quantitative results, etc. can be efficiently confirmed. Furthermore, it is possible to reduce operational errors such as user omissions and misreading. Furthermore, it is possible to reduce the number of pages in a report or the amount of data in an electronic report file. This reduces the number of parts, making them easier to handle and reducing costs.

[0050] (Item 2) The chromatographic analysis device described in item 1 may further include an operation unit that allows any position on the screen of the display unit to be designated by a click operation, and the cell selection receiving unit may receive a cell selection in response to a click operation using the operation unit on the displayed table.

[0051] (Clause 7) In the chromatographic analysis program described in clause 6, the cell selection acceptance step can be configured to accept cell selection in response to a user clicking operation at any position on the table displayed on the screen of the display unit.

[0052] The chromatographic analysis device described in paragraph 2 and the chromatographic analysis program described in paragraph 7 allow the user to select and specify one or more target cells through simple and intuitive operations, thereby improving workability and reducing operational errors.

[0053] (Item 3) The chromatographic analyzer according to item 1 or 2 further comprises a report creation unit that creates a report in a predetermined format, The selected information output unit can output the numerical information of the selected cell and the corresponding sample information and compound information to the report creation unit, and the report creation unit can create a report including the numerical information of the cell and the corresponding sample information and compound information.

[0054] (Item 8) The chromatographic analysis program described in Item 6 or 7 can further cause a computer to execute a report creation step of receiving the numerical information of the selected cell and the corresponding sample information and compound information output in the selection information output step, and creating a report in a predetermined format including the numerical information of the cell and the corresponding sample information and compound information.

[0055] The chromatographic analysis device described in paragraph 3 and the chromatographic analysis program described in paragraph 8 can create a report that contains numerical information such as concentration values ​​corresponding to the combination of sample and compound that the user is interested in, and does not contain concentration values ​​corresponding to other unnecessary combinations, i.e., combinations that the user is not interested in. This allows the user to obtain a useful report that contains only the information of interest. Furthermore, by eliminating unnecessary information, the amount of information in the report itself can be reduced, which can eliminate paper waste when printing on paper, and the amount of data can be reduced when saving as a data file, thereby eliminating wasted storage capacity.

[0056] (Item 4) In the chromatographic analyzer described in item 3, the report creation unit can create a report including a peak waveform of a chromatogram corresponding to the numerical information.

[0057] (Item 9) In the chromatographic analysis program according to item 8, the report creation step can create a report including a peak waveform of a chromatogram corresponding to the numerical information.

[0058] According to the chromatographic analyzer described in paragraph 4 and the chromatographic analysis program described in paragraph 9, the report includes information such as concentration values ​​corresponding to the combination of sample and compound of interest to the user, as well as the peak waveforms of the chromatograms from which the concentration values ​​were calculated. This allows the user to efficiently check on the report whether there are any problems with the peak waveforms from which the concentration values ​​were calculated.

[0059] (Item 5) The chromatographic analysis device described in any one of Items 1 to 4 may further include an output format setting unit that accepts a user's selection of one of a plurality of modes, including a mode for outputting numerical information corresponding to a selected cell, a mode for outputting numerical information corresponding to a selected sample, and a mode for outputting numerical information corresponding to a selected compound, and the selected information output unit may output information including the numerical information in accordance with the selected mode.

[0060] (Item 10) The chromatographic analysis program described in any one of Items 6 to 9 may further cause the computer to execute an output format setting step of accepting a user's selection of one of a plurality of modes including a mode of outputting numerical information corresponding to a selected cell, a mode of outputting numerical information corresponding to a selected sample, and a mode of outputting numerical information corresponding to a selected compound, and in the selected information output step, information including the numerical information may be output in accordance with the mode selected in the output format setting step.

[0061] According to the chromatographic analyzer described in paragraph 5 and the chromatographic analysis program described in paragraph 10, it is possible to output, at the user's request, only information corresponding to a cell the user is focusing on, as well as all numerical information such as concentration values ​​corresponding to a specific sample or specific compound. This makes it possible to accommodate output in a variety of formats to meet various user requests, and to accurately output or create a report of the information the user wants to check. [Explanation of symbols]

[0062] 1...Measuring part 10...Autosampler 11...Liquid chromatograph section (LC section) 12...Mass spectrometry section (MS section) 2...Data processing unit 20...Data storage section 21...Chromatogram creation section 22…Quantitative analysis department 23…Analysis work support department 230...Result list table creation section 231...Cell selection reception unit 232...Output format setting section 233...Selection result output section 24...Report Writing Department 2 5 ...Display and print processing section 3...Operation unit 4...Display section 5…Printing department

Claims

1. A chromatographic analyzer for measuring a plurality of types of compounds for each of a plurality of samples, comprising: an analysis processing unit that calculates, for each sample, numerical information that is an analysis result for a plurality of types of compounds based on data obtained by measurement; a table creation unit that creates a two-dimensional table by arranging sample information for identifying samples and compound information for identifying compounds in one of the vertical and horizontal directions and allocating numerical information obtained for a combination of one sample and one compound to one cell; a cell selection receiving unit that displays the table on a screen of a display unit and receives selection of one or more cells in the displayed table in response to a user operation; a selection information output unit that outputs or displays the numerical information in the cells received by the cell selection receiving unit in a predetermined format together with sample information and compound information corresponding to the cells; A chromatographic analysis device comprising:

2. 2. The chromatographic analysis device according to claim 1, further comprising an operation unit that allows an operator to specify any position on the screen of the display unit by clicking, and the cell selection receiving unit receives a cell selection in response to a click operation using the operation unit on the displayed table.

3. a report creation unit that creates a report in a predetermined format; 3. The chromatographic analyzer according to claim 1, wherein the selected information output unit outputs the numerical information of the selected cell and the corresponding sample information and compound information to the report creation unit, and the report creation unit creates a report including the numerical information of the cell and the corresponding sample information and compound information.

4. The chromatographic analyzer according to claim 3 , wherein the report creation unit creates a report including a peak waveform of a chromatogram corresponding to the numerical information.

5. 5. The chromatographic analyzer according to claim 1, further comprising an output format setting unit that accepts a user's selection of one of a plurality of modes, including a mode that outputs numerical information corresponding to a selected cell, a mode that outputs numerical information corresponding to a selected sample, and a mode that outputs numerical information corresponding to a selected compound, and the selected information output unit outputs information including the numerical information in accordance with the selected mode.

6. A data processing program used in a chromatographic analyzer that performs measurements of multiple types of compounds for multiple samples, the program comprising: an analysis processing step of calculating, for each sample, numerical information that is an analysis result for a plurality of types of compounds based on data obtained by measurement; a table creation step of creating a two-dimensional table by arranging sample information identifying samples and compound information identifying compounds in one of the vertical and horizontal directions and allocating numerical information obtained for a combination of one sample and one compound to one cell; a cell selection receiving step of displaying the table on a screen of a display unit and receiving selection of one or more cells on the displayed table in response to a user operation; a selection information output step of outputting or displaying the numerical information in the cells accepted in the cell selection acceptance step together with sample information and compound information corresponding to the cells in a predetermined format; A chromatographic analysis program that executes the above.

7. 7. The chromatographic analysis program according to claim 6, wherein the cell selection accepting step accepts the selection of a cell in response to a user clicking on any position on the table displayed on the screen of the display unit.

8. 8. The chromatographic analysis program according to claim 6 or 7, further causing a computer to execute a report creation step of receiving the numerical information of the selected cell and the corresponding sample information and compound information output in the selection information output step, and creating a report in a predetermined format including the numerical information of the cell and the corresponding sample information and compound information.

9. 9. The chromatographic analysis program according to claim 8, wherein the report creation step creates a report including a peak waveform of a chromatogram corresponding to the numerical information.

10. The chromatographic analysis program according to any one of claims 6 to 9, further comprising an output format setting step of receiving a user's selection of one of a plurality of modes including a mode for outputting numerical information corresponding to a selected cell, a mode for outputting numerical information corresponding to a selected sample, and a mode for outputting numerical information corresponding to a selected compound, wherein the selected information output step outputs information including the numerical information in accordance with the mode selected in the output format setting step.

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