Analysis-related information processing device, analysis device, analysis-related information display method and program

Abstract

To show information of a material group and materials of the material group in an easily understandable manner in an analysis.SOLUTION: An processor for information on an analysis includes a display control unit for causing a display device to display first information as information on each material on an analysis of a sample and second information as information on an analysis of each material group of different materials. The display control unit displays the first information and the second information in a switchable manner, or displays both the first information and the second information or displays the first information alone.SELECTED DRAWING: Figure 5

Description

[Technical Field]

[0001] The present invention relates to an apparatus for processing information related to analysis, an analysis apparatus, a method for displaying information related to analysis, and a program. [Background technology]

[0002] Sample analysis is commonly used to obtain information about a group of substances consisting of multiple different substances. As noted in Non-Patent Document 1, polybrominated diphenyl ethers (PBDEs) refer to a group of substances consisting of multiple substances with different bromine atom positions or numbers. The European RoHS (Restriction of Hazardous Substances) Directive sets a maximum PBDE content of 1 g / kg for each component of an electrical or electronic product, calculated as the combined value of the multiple different substances that make up this group. When analyzing samples for a group of substances, information about the group and each of the substances that make up the group is displayed for data analysis or to inform the analyst of the results. Because multiple items for the group and each substance are displayed, the displayed information can be difficult to understand. This problem is particularly pronounced when analyzing multiple groups of substances or when the group contains many substances. [Prior art documents] [Non-patent literature]

[0003] [Non-Patent Document 1] "Polybrominated diphenyl ethers", [online], July 28, 2020, Wikipedia Foundation Inc, [Retrieved August 25, 2020], Internet<URL: https: / / en.wikipedia.org / wiki / Polybrominated_diphenyl_ethers> Summary of the Invention [Problem to be solved by the invention]

[0004] With regard to the analysis of samples, it is desirable to provide clear information about substance groups and the substances that make up the substance groups. [Means for solving the problem]

[0005] A first aspect of the present invention is a method for analyzing a sample, comprising: a setting unit that sets a grouping of a plurality of different substances into substance groups based on a user's input; and a setting unit that sets first information, which is information about each substance included in the substance group set by the setting unit, regarding the analysis of a sample; and a setting unit that sets second information, which is information about the analysis of each substance group set by the setting unit. By string The present invention relates to a processing device for information relating to analysis, which includes a display control unit that displays the first information and the second information on a display device, and the display control unit displays the first information in a manner that allows the first information and the second information to be switched between each other, or displays the first information in a manner that allows the second information to be switched between displayed and hidden. A second aspect of the present invention relates to an analysis device comprising the device for processing information relating to analysis of the first aspect. A third aspect of the present invention is a method for setting a grouping of a plurality of different substances into substance groups based on a user's input, and after setting the grouping, generating first information which is information for each substance included in the substance group set for analysis of a sample, and second information which is information about the analysis for each of the set substance groups. By string and displaying the information obtained by the analysis on a display device, wherein the first information and the second information are displayed in a switchable manner, or the first information is displayed in a manner that allows the second information to be switched between displayed and hidden. A fourth aspect of the present invention is a method for setting a grouping of a plurality of different substances into groups of substances based on a user's input, and after the grouping setting process, generating first information which is information about each substance included in the group of substances set for analysis of a sample, and second information which is information about the analysis for each of the set groups of substances. By stringThe present invention relates to a program for causing a computer to perform a display process for displaying the first information on a display device, wherein the display process is such that the first information and the second information are displayed in a switchable manner, or the first information is displayed in a manner that allows the second information to be switched between displayed and hidden. [Effects of the Invention]

[0006] According to the present invention, it is possible to provide information about a substance group and the substances that make up the substance group in an easy-to-understand manner in relation to the analysis of a sample. [Brief explanation of the drawings]

[0007] [Figure 1] FIG. 1 is a conceptual diagram showing the configuration of an analysis device according to one embodiment. [Figure 2] FIG. 2 is a table showing the contents of a substance database according to one embodiment. [Figure 3] FIG. 3 is a diagram showing an example of a screen showing substance information according to one embodiment. [Figure 4] FIG. 4 is a diagram showing an example of a screen showing substance group information according to one embodiment. [Figure 5] FIG. 5 is a conceptual diagram for explaining how substance information and substance group information are switched between for display. [Figure 6] FIG. 6 is a flowchart showing the flow of an analysis method according to one embodiment. [Figure 7] FIG. 7 is a diagram showing an example of a screen showing substance information or substance group information for each substance group according to a modified example. [Figure 8] FIG. 8 is a diagram showing an example of a screen showing substance information and substance group information for each substance group according to a modified example. [Figure 9] FIG. 9 is a conceptual diagram for explaining the provision of a program. DETAILED DESCRIPTION OF THE INVENTION

[0008] Hereinafter, an embodiment of the present invention will be described with reference to the drawings.

[0009] -Implementation- The analytical device of this embodiment analyzes a sample for a substance group consisting of a plurality of different substances, and displays information about each of the plurality of different substances and the substance group. Hereinafter, the information about each of the plurality of different substances will be referred to as substance information, and the information about the substance group will be referred to as substance group information.

[0010] The substance information can include any information defined for each substance, such as the name of the substance, its characteristics, or parameters used in analyzing the substance. The substance information can be configured, for example, by associating a number or symbol indicating a substance with the name of the substance, parameters used in analyzing the substance, or numerical values ​​obtained by analyzing the substance.

[0011] The substance group information can include any information defined for each substance group, such as the name, characteristics, or number of substances included in the substance group. The substance group information can include the name of the substance group or the number of types of substances included in the substance group. Alternatively, the substance group information can include the number or names of types of substances detected in analysis for substances included in the substance group, or the total detected amount or concentration of substances detected in analysis. The substance group information can include any combination of the above items. For example, the substance group information can be configured by associating each of the above items with a number or symbol indicating the substance group.

[0012] Suitable examples of the substance group to be analyzed include the aforementioned PBDEs and polybromobiphenyls (PBBs). In these cases, each molecule determined by the position and number of bromine atoms can be the substance to be analyzed, and the entire PBDEs or the entire PBBs can be the substance group to be analyzed. Like PBDEs, the European RoHS Directive sets upper limits for the concentration of PBBs in each component of electrical and electronic products. When the total amount or concentration of multiple substances contained in an item, such as PBDEs and PBBs, is subject to regulation, the analytical device 1 of this embodiment is useful because it can clearly display information related to the regulation. Examples of such regulations include the RoHS Directive, PBDEs and PBBs under the China RoHS and Gulf Technical Regulations, and phthalates under the European REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) regulation.

[0013] The substance group and the substances that make up the substance group may include various other embodiments. A substance group may be a group of multiple different substances based on their properties, such as volatility, semi-volatility, or low volatility. In this case, multiple different substances with a predetermined volatility can be defined as a substance group using a label such as a "volatile substance group." Grouping may also be performed based on the substance's use or field, and groups such as plasticizers, flame retardants, or antioxidants may also be used. The substance group to which each substance belongs can be set appropriately by the analyst or user of the analytical device.

[0014] (About analytical equipment) 1 is a conceptual diagram showing the configuration of an analytical device according to this embodiment. The analytical device 1 is a gas chromatograph-mass spectrometer (GC-MS). The analytical device 1 includes a measurement unit 100 and an information processing unit 40.

[0015] The measurement unit 100 includes a gas chromatograph (GC) 10 and a mass spectrometer (MS) 20.

[0016] The information processing unit 40 includes an input unit 41, a communication unit 42, a memory unit 43, a display unit 44, and a control unit 50. The memory unit 43 includes a substance DB 430. The control unit 50 includes a setting unit 51, a device control unit 52, an information generation unit 53, a display control unit 54, and a notification unit 55.

[0017] The measurement unit 100 performs each operation in the analysis of a sample (hereinafter referred to as the analysis operation), and separates and detects each component of the sample. The sample is introduced into the GC 10.

[0018] The sample is not particularly limited as long as it can be analyzed by the analysis device 1 and may contain the substance group to be analyzed.

[0019] The GC10 separates each component of the sample by gas chromatography. The GC10 vaporizes or gasifies the introduced sample as needed. The gas sample and the vaporized or gasified sample are called sample gas. The GC10 separates the sample gas in a separation column. The separated components of the sample are eluted from the separation column at different retention times. The eluted components of the sample are introduced into the MS20 (arrow A1).

[0020] The MS20 performs mass analysis of the introduced sample. The MS20 ionizes the introduced sample using an ionization unit (not shown). The ionized sample is called sample-derived ions. The MS20 mass-separates the sample-derived ions using a mass analyzer (not shown) and detects them using an ion detector (not shown). The MS20 may modify or dissociate the sample-derived ions, and then mass-separate and detect the ions obtained by the modification or dissociation. The ions obtained by the modification or dissociation are also considered to be included in the sample-derived ions.

[0021] The MS 20 performs A / D conversion of the detection signal obtained by detecting the sample-derived ions using an analog / digital (A / D) converter (not shown), and outputs the digitized detection signal to the information processing unit 40 (arrow A2). Hereinafter, data including the intensity of the detection signal of the sample-derived ions obtained by the analysis operation in the measurement unit 100 will be referred to as detection data. The type of mass spectrometer constituting MS20 is not particularly limited as long as it can perform mass analysis and detect ions derived from the sample with the desired accuracy, and any type of mass spectrometer including one or more mass analyzers can be used.

[0022] The information processing unit 40 includes an information processing device such as a computer, and serves as an interface with the user of the analysis device 1 (hereinafter simply referred to as "user"), as well as performing processes such as communication, storage, and calculation of various data. The information processing unit 40 functions as a device for processing information related to analysis.

[0023] The input unit 41 includes input devices such as a mouse, keyboard, various buttons, or a touch panel. The input unit 41 receives information necessary for processing by the control unit 50 from the user. The communication unit 42 includes a communication device capable of communicating via a wireless or wired connection such as the Internet, and appropriately transmits and receives data related to processing by the control unit 50.

[0024] The storage unit 43 includes a storage medium and stores programs and data for the control unit 50 to execute processes. The programs include a program for executing the processes of the display control unit 54, which will be described later. Some of the data used by the analysis device 1 may be stored in a remote server or the like, and at least some of the arithmetic processing performed by the above program may be performed in a remote server or the like.

[0025] The substance DB 430 of the storage unit 43 is a DB containing substance data. The substance data of this embodiment stores substance information necessary for analysis. The substance data may be stored in the substance DB 430 in advance, or may be acquired by user input or communication with an external device.

[0026] 2 is a diagram showing Table A, which schematically illustrates the contents of the substance DB 430. In Table A, it is assumed that contents shown on the same row correspond to each other in the substance DB 430. Table A shows a substance group name item C11, a substance name item C12, a first retention time item C13, a first quantitation ion item C14, a first confirmation ion item C15, and a first ion ratio item C16. In Table A, the substance group name item C11 is located on the far left, and each value is set for each substance shown in the substance name item C12. The display control unit 54, which will be described later, can display the items on the display unit 44 in association with each other, as in Table A. Table A is also an example of a display screen of the display unit 44. In this case, the design, such as the presence or absence of vertical or horizontal lines, is not particularly limited.

[0027] The substance group name item C11 indicates the name of the substance group to which the substance in the substance name item C12 belongs. The substance name item C12 indicates the name of the substance. The substance group name item C11 and the substance name item C12 set which substance group each substance belongs to.

[0028] The first retention time item C13 indicates the retention time set for detecting a substance by mass spectrometry. The first quantification ion item C14 indicates the m / z set for detecting a substance's quantification ion by mass spectrometry. Quantification ions are ions derived from the sample that are suitable for detection from the perspective of quantitation, etc. The first confirmation ion item C16 indicates the m / z set for detecting a substance's confirmation ion by mass spectrometry. Confirmation ions are ions derived from the sample that are not used for quantifying the substance but are specific to the substance. Confirming the detection of confirmation ions increases the reliability of the quantification ion data. The m / z of the quantification ion and the m / z of the confirmation ion are set based on data obtained from previous analyses or theoretical values ​​based on the amino acid sequences. In the following, the term "mass-to-charge ratio" is broadly defined as a parameter indicating the ratio of mass to charge, and m / z is used as an example. However, mass-to-charge ratios with different units, etc., can also be used instead of m / z.

[0029] The first ion ratio item C16 indicates the confirmation ion ratio. The confirmation ion ratio is the ratio between the detection intensity of the quantification ion and the detection intensity of the confirmation ion. The detection intensity is a value that indicates the magnitude of the ion detection signal. In addition to confirming the detection of the confirmation ion, if the confirmation ion ratio is close to the set value, the reliability of the data for the quantification ion will be further increased. The set value of the confirmation ion ratio is set based on values ​​obtained in past mass spectrometry of the substance. The substance information used to perform the analysis is not limited to that shown in Table A, but may be any numerical value or item related to the analysis.

[0030] 1, the display unit 44 includes a display device such as a liquid crystal monitor, etc. The display unit 44 displays the information generated by the information generation unit 53 on the display device under the control of the display control unit 54.

[0031] The control unit 50 includes a processor such as a CPU (Central Processing Unit) and a storage medium such as a memory. The processor loads programs stored in the storage unit 43 into the memory and executes them, and is the main body of the operation of the analysis device 1, such as controlling the measurement unit 100 and processing detected data. It should be noted that the physical configuration of the control unit 50 is not particularly limited as long as it can perform the processing of the control unit 50 according to this embodiment.

[0032] The setting unit 51 of the control unit 50 sets the grouping of multiple different substances into substance groups based on user input. The user can create or change any substance group via the setting unit 51, for example, by inputting or selecting multiple different substances on the screen and inputting the name or reference number of the corresponding substance group. By allowing the user to set substance groups via the setting unit 51 in this way, more flexible data analysis and display of analysis results become possible.

[0033] The device control unit 52 of the control unit 50 controls the analytical operations performed by each unit of the measurement unit 100. The device control unit 52 sets the substance and substance group to be analyzed based on input from the user, etc. The device control unit 52 searches the substance DB 430 and obtains parameters (such as the set retention time, m / z of the quantification ion, m / z of the confirmation ion, and confirmation ion ratio) required to separate and detect the substance to be analyzed. The device control unit 52 controls each unit of the measurement unit 100 using the obtained parameters to perform the analytical operations. For example, the device control unit 52 obtains the set retention time (Ta) and quantification ion m / z (Qa) corresponding to substance A from the substance DB 430. The device control unit 52 controls the measurement unit 100 to mass-separate ions having an m / z of Qa at the retention time Ta, and detects the quantification ion corresponding to substance A.

[0034] The information generation unit 53 of the control unit 50 generates substance information and substance group information from the detection data obtained in the sample analysis. The information generation unit 53 calculates the detection intensity of sample-derived ions corresponding to each substance being analyzed from the substance DB 430 and the detection data. For example, the information generation unit 53 generates data corresponding to a chromatogram for a predetermined m / z value or range or a mass spectrum at each retention time. The information generation unit 53 can use the maximum intensity or area of ​​the peaks of the quantitation ion and confirmation ion in these as the detection intensity of the substance corresponding to these ions. Here, a chromatogram is a graph showing retention time on the horizontal axis and the intensity of the substance detected at each retention time on the vertical axis, and a mass spectrum is a graph showing m / z on the horizontal axis and the intensity of ions having each detected m / z on the vertical axis.

[0035] The information generating unit 53 can calculate the confirmation ion ratio by calculating the ratio between the detection intensity of the quantitation ion and the detection intensity of the confirmation ion. If calibration data, such as a calibration curve, has been acquired and the concentration of each substance in the sample can be calculated, the information generating unit 53 can convert the calculated detection intensity of each substance into a concentration. If the detection intensity or concentration of a quantitation ion exceeds a predetermined value based on noise or the like, the information generating unit 53 determines that a substance corresponding to the quantitation ion has been detected. The information generating unit 53 stores each value obtained by the above calculation for each substance in the memory unit 43 or the like. The information generating unit 53 also stores, for each substance, whether or not each substance to be analyzed has been detected in any data format, such as binary, in the memory unit 43 or the like. This information indicating whether or not each substance has been detected is referred to as detection information.

[0036] The information generating unit 53 generates substance group information based on the data in the substance DB 430 and the values ​​obtained by the calculations of the information generating unit 53. The information generating unit 53 acquires multiple different substances included in the substance group to be analyzed from the substance DB 430, and calculates the number of types of substances detected from the multiple different substances. The information generating unit 53 calculates the sum of the detection intensities or the sum of the concentrations of the detected substances from the multiple different substances. The information generating unit 53 may calculate the number of types of substances included in the substance group to be analyzed. The information generating unit 53 associates the calculated values ​​with each substance group and stores them in the storage unit 43 or the like as substance group information. The information generating unit 53 can calculate any value related to analysis as substance information or substance group information, not limited to the above.

[0037] The display control unit 54 of the control unit 50 causes the substance information and substance group information to be displayed on the display unit 44. The display control unit 54 in this embodiment causes the display unit 44 to switch between displaying the substance information and the substance group information.

[0038] 3 is a conceptual diagram of screen elements showing substance information on the display screen of the display unit 44. The display screens or screen elements shown in the following figures are examples, and the design, such as the presence or absence of lines or horizontal lines, is not particularly limited as long as substance information about each substance and substance group information about each substance group are displayed.

[0039] The first screen element SE1 in FIG. 3 shows Table TS. In Table TS, one row corresponds to one substance, and analytical information is displayed for each substance. Table TS shows a substance group name field C11, a substance name field C12, a detection field C17, a second retention time field C130, a concentration field C18, a second quantified ion field C140, a second confirmed ion field C150, and a second ion ratio field C160. In Table TS1, the substance group name field C11 is located on the far left, and values ​​are displayed for each substance identified in the substance name field C12. The substance group name field C11 and other fields already explained have the same content, so further explanation will be omitted. This also applies to the following tables.

[0040] The detection item C17 is an item showing detection information. In the detection item C17, a check mark is displayed if each substance is detected in the sample analysis, and a hyphen is displayed if it is not detected. In the detection item C17, the display format is not particularly limited as long as it can distinguish between detected and undetected.

[0041] The second retention time item C130 is an item indicating the retention time at which each substance was actually measured in the analysis of the sample. The concentration item C18 is an item indicating the concentration of each substance obtained in the analysis of the sample. The second quantitation ion item C140 is an item indicating the detection intensity (peak area value in Table TS) of the quantitation ion of each substance. The second confirmation ion item C140 is an item indicating the detection intensity (peak area value in Table TS) of the confirmation ion of each substance. The second ion ratio item C160 is an item indicating the confirmation ion ratio of each substance.

[0042] Figure 4 is a conceptual diagram of screen elements showing substance group information on the display screen of display unit 44. Table TG is shown in second screen element SE2 in Figure 4. In Table TG, one row corresponds to one type of substance, and information about analysis is shown for each substance group. Table TG shows a substance group name item C21, a substance number item C22, a detected substance number item C23, and a total value item C24.

[0043] The substance group name field C21 indicates the name of the substance group. Table TG shows substance group information for each substance group in the substance group name field C21. The number of substances field C22 indicates the number of substance types contained in each substance group. The number of detected substances field C23 indicates the number of substance types detected among the substances contained in each substance group. The total value field C24 indicates the total concentration of the substances contained in each substance group. The total value field C24 may also indicate the total detection intensity instead of concentration. In the example of Figure 3, for substance group X, the detected concentration of substance A is Ca, the detected concentration of substance B is Cb, the detected concentration of substance C is Cc, and the detected concentration of substance D is Cd. Therefore, the total concentration value of substance group X is calculated using the formula Ca + Cb + Cc + Cd. From the example of Figure 3, substance group Y consists of substances E, F, G, and H, but substances E and H were not detected. Therefore, the total concentration of the substance group Y is the sum of the detected concentration Cf of the substance F and the detected concentration Cg of the substance G. The display control unit 54 can display any value related to the analysis as substance information or substance group information, not limited to the above.

[0044] The display control unit 54 in this embodiment switches between displaying substance information and displaying substance group information for all substance groups at once.

[0045] 5 is a conceptual diagram showing the control of switching of display screens by the display control unit 54. Display screens D1 and D2 are screens that show the results obtained by the analysis and are displayed by the display unit 44 under the control of the display control unit 54.

[0046] Display screen D1 displays a first screen element SE1 and a third screen element SE3. First screen element SE1 is a screen element that displays characters, images, etc., and displays table TS (FIG. 3) showing substance information. Third screen element SE3 is a button. Display screen D2 displays a second screen element SE2 and a third screen element SE3. Second screen element SE2 is a screen element that displays characters, images, etc., and displays table TG (FIG. 4) showing substance group information.

[0047] When display screen D1 is displayed, if the user clicks a button in third screen element SE3, display control unit 54 switches from displaying display screen D1 showing substance information to displaying display screen D2 showing substance group information. When display screen D2 is displayed, if the user clicks a button in third screen element SE3, display control unit 54 switches from displaying display screen D2 showing substance group information to displaying display screen D1 showing substance information. In Figure 5, the switching between display screens D1 and D2 by display control unit 54 is schematically indicated by arrow A3.

[0048] Control by the display control unit 54 allows switching between a screen displaying substance information for each substance and a screen displaying substance group information for each substance group for all substances or substance groups. This allows the user to switch between information for each substance and information for each substance group as needed. Therefore, the analytical device 1 can provide easy-to-understand information about substance groups and the substances that make up a substance group regarding sample analysis. Furthermore, because the analytical device 1 can switch between multiple or many substances at once, i.e., all at once, the user can efficiently view information about the analysis with simple operations.

[0049] Although the third screen element SE3 is a button, the form is not particularly limited as long as it can detect a user action for a switching instruction. For example, the display control unit 54 can be configured to perform the above switching by clicking the first screen element SE1 or the second screen element SE2. Alternatively, the above switching may be performed when an option for performing the above switching is selected from options displayed by right-clicking. Furthermore, although bidirectional switching between a screen showing substance information and a screen showing substance group information is possible, a configuration in which only unidirectional switching is possible may also be used.

[0050] The notification unit 55 of the control unit 50 issues a notification when the substance group being analyzed is a regulated substance and the analysis of the sample results in a non-compliance with the regulation. The notification unit 55 references a threshold value based on the regulation stored in advance in the memory unit 43, etc. If an upper limit on the amount of a substance group contained in an item is regulated, the notification unit 55 issues a notification that the item is or may be in violation of the regulation if the total value of the detection intensity or concentration of the substances contained in the substance group exceeds the threshold. The manner of the determination is not particularly limited as long as compliance with the regulation is determined based on a threshold-based condition. The manner of notification by the notification unit 55 is not particularly limited, and may include displaying text or an image on the display unit 44 as a pop-up message, or an audio warning. By issuing a notification when the total value of the detection amounts or concentrations of multiple different substances corresponding to the substance group meets the threshold-based condition, the notification unit 55 can clearly communicate to the user information regarding whether the item related to the sample complies with the regulation for the substance group being analyzed. The notification unit 55 may be configured to issue a notification when the number of detected different substances corresponding to a substance group satisfies a condition based on a threshold value.

[0051] (Analysis method) 6 is a flowchart showing the flow of an analysis method according to this embodiment, including a method for displaying information related to analysis. In step S1001, the device control unit 52 controls the measurement unit 100 to perform an analysis operation on the sample. After step S1001 is completed, step S1003 is started.

[0052] In step S1003, the information generation unit 53 performs data analysis of data (detection data, etc.) obtained from the sample analysis, and generates substance information and substance group information. After step S1003 is completed, step S1005 is started. In step S1005, the display control unit 54 controls the display unit 44 to display the substance information or substance group information. After step S1005 is completed, step S1007 is started.

[0053] In step S1007, the display control unit 54 determines whether or not an end instruction has been input by the user. If an end instruction has been input, an affirmative decision is made in step S1007, and the display control unit 54 ends the processing. If an end instruction has not been input, a negative decision is made in step S1007, and step S1009 starts.

[0054] In step S1011, the display control unit 54 determines whether or not a switching instruction has been input by the user. If a switching instruction has been input, an affirmative decision is made in step S1009, and step S1011 is started. If a switching instruction has not been input, a negative decision is made in step S1009, and step S1007 is started. In step S1011, the display control unit 54 switches the information to be displayed between substance information and substance group information. When step S1011 ends, step S1007 is started.

[0055] According to the above-described embodiment, the following advantageous effects can be obtained. (1) The analytical device 1 of this embodiment includes a display control unit 54 that causes the display unit 44 to display substance information, which is information about each substance in the analysis of a sample, and substance group information, which is information about the analysis of each substance group consisting of a plurality of different substances, and the display control unit 54 is capable of switching between displaying the substance information and the substance group information. This allows the analytical device 1 to provide information about substance groups and the substances that make up the substance groups in the analysis of a sample in an easy-to-understand manner.

[0056] (2) In the analysis device 1 of this embodiment, the display control unit 54 can switch between substance information and substance group information for all substance groups collectively, i.e., collectively. This allows the user to efficiently view information about the analysis with simple operations.

[0057] (3) In the analysis device 1 of this embodiment, the plurality of different substances constituting the substance group can be substances whose total amount or concentration of the plurality of different substances contained in an item is subject to regulation. This allows the analysis device 1 to provide easy-to-understand information on whether the item complies with the regulation.

[0058] The following modifications are also within the scope of the present invention and can be combined with the above-described embodiment. In the following modifications, parts and the like having the same structure and function as those in the above-described embodiment will be referred to by the same reference numerals, and descriptions thereof will be omitted as appropriate.

[0059] (Variation 1) In the above-described embodiment, an example of analyzing a sample by gas chromatography / mass spectroscopy (GC / MS) has been described. However, the type of analysis is not particularly limited as long as information about a group of substances can be generated from the analysis results obtained for each substance. Sample analysis can include mass spectrometry, chromatography, chromatography / mass spectrometry, pyrolysis gas chromatography, and pyrolysis GC / MS. From a similar perspective, analytical devices that analyze samples can include mass spectrometers, chromatographs, chromatography-mass spectrometers, pyrolysis GC, and pyrolysis GC-MS.

[0060] (Variation 2) In the above-described embodiment, the display control unit 54 is configured to switch between displaying substance information and displaying substance group information for all substance groups collectively, i.e., collectively. However, the information control unit 54 may also be configured to switch for one or more substance groups. The one or more substance groups to be switched are preferably determined by user selection.

[0061] 7 is a conceptual diagram showing an example of a display screen in this modified example. The fourth screen element SE4 is a screen element that displays characters, images, etc., and displays a table TG1 that shows substance group information about substance group X, and a table TS1 that shows substance information about substance groups Y and Z. The fourth screen element SE4 is a screen element that shows the results obtained by the analysis, and is displayed by the display unit 44 under the control of the display control unit 54.

[0062] The display control unit 54 switches between displaying substance information and displaying substance group information for the selected substance group.

[0063] The display control unit 54 displays the first screen element SE1 showing the substance information shown in FIG. 3 on the display unit 44. When the user clicks on an area on the screen corresponding to the substance group X, the display control unit 54 displays a table TG1 showing substance group information about the substance group X, in place of the substance information that had been displayed about the substance group X, i.e., displays the fourth screen element SE4. The table TG1 is the portion that corresponds to the substance X in the table TG that shows the substance group information (see FIG. 4). When the fourth screen element SE4 is displayed and the user clicks on an area in the table TG1 that corresponds to the substance X, the display control unit 54 displays the substance information about the substance group X, in place of the substance group information that had been displayed about the substance group X. In other words, the first screen element SE1 is displayed again.

[0064] Similarly, for other substance groups to be analyzed, such as substance groups Y and Z, the display control unit 54 switches between displaying substance information and displaying substance group information in response to a click by the user. The display control unit 54 may be configured to switch between displaying substance information and displaying substance group information for multiple substance groups at once. In this case, the user may select multiple substance groups for which the display is to be switched using a check box or toggle button corresponding to each substance group. For example, by switching the display of substance groups Y and Z in the second screen element SE2 of FIG. 4, the state of the fourth screen element SE4 of FIG. 7 can be achieved, and vice versa. The method for selecting a substance group for which the display is to be switched is not particularly limited. For example, the user may right-click to display substance group options, and the display control unit 54 may switch the display for the selected substance group.

[0065] In the analysis device 1 of this modification, the display control unit 54 switches between substance information and substance group information for each selected substance group or groups. This allows the display content to be flexibly set for each substance group, and information can be provided in a format that meets the user's needs.

[0066] (Variation 3) In the above-described embodiment, the display control unit 54 is configured to display either the substance information or the substance group information on the display screen. However, the display control unit 54 may be configured to switch between displaying and hiding the substance group information in addition to displaying the substance information.

[0067] 8 is a conceptual diagram showing an example of a display screen in this modified example. The fifth screen element SE5 is a screen element that displays characters, images, etc. The fifth screen element SE5 displays tables TSX and TGX that respectively show substance information and substance group information for substance group X, and tables TSY and TGY that respectively show substance information and substance group information for substance group Y. The fifth screen element SE5 is a screen element that shows the results obtained by the analysis, and is displayed by the display unit 44 under the control of the display control unit 54.

[0068] The display control unit 54 displays the display screen D1 shown in the upper part of FIG. 5 on the display unit 44. On the display screen D1, substance information for each substance is displayed in the first screen element SE1, but substance group information is not displayed. When the user clicks the button in the third screen element SE3, the display control unit 54 displays a fifth screen element SE5, which displays substance group information for each substance group along with the substance information, in place of the first screen element SE1. In other words, the display control unit 54 adds tables TGX and TGY, which display substance group information for substance groups X and Y, respectively, to the first screen element SE1. Alternatively, the display control unit 54 can be said to add rows or columns showing substance group information and corresponding to each substance group to the table showing the substance information. In this example, the display or non-display of substance group information for each substance group can be switched with a simple operation.

[0069] When both substance information and substance group information are displayed in the fifth screen element SE5, it is preferable that the substance information and substance group information for each substance are displayed adjacent to each other, as shown in FIG. 8, but this is not particularly limited. The display control unit 54 may be configured to switch between displaying and hiding substance group information for one or more substance groups, as described above in Modification 2. The substance groups to be switched are preferably set by user selection. In this case, the display can be flexibly performed according to the needs of the user. Furthermore, as described above, there are no particular limitations on the method for selecting the substance groups to be switched between displaying.

[0070] In the analytical device 1 of this modified example, the display control unit 54 displays the substance information in a manner that allows switching between displaying and hiding the substance group information. In other words, the display control unit 54 is configured to be able to switch between displaying and hiding the substance group information when displaying the substance information. This allows the analytical device 1 to provide information about substance groups and the substances that make up the substance groups in relation to the analysis of a sample in an easy-to-understand manner.

[0071] (Variation 4) In the above-described embodiment, some or all of the multiple different substances may be included in multiple different substance groups. This allows the user to set the substance groups more flexibly and perform more detailed data analysis. If the amount or concentration of a substance group contained in an item is regulated, separate substance groups can be set for the same substance in accordance with the multiple different regulations, and appropriate analysis can be performed to determine whether or not it complies with each regulation.

[0072] (Variation 5) A program for implementing the information processing functions of the analytical device 1 may be recorded on a computer-readable recording medium, and the program recorded on the recording medium for controlling the processing of the control unit 50, including the processing of the display control unit 54 described above, and related processing may be loaded and executed by a computer system. Note that the term "computer system" as used herein includes an operating system (OS) and peripheral hardware. Furthermore, the term "computer-readable recording medium" refers to portable recording media such as flexible disks, optical magnetic disks, and memory cards, as well as storage devices such as hard disks or solid-state drives (SSDs) built into computer systems. Furthermore, the term "computer-readable recording medium" may also include devices that dynamically store programs for a short period of time, such as communication lines used when transmitting programs via networks such as the Internet or telephone lines, or devices that store programs for a fixed period of time, such as volatile memory within the computer system serving as the server or client. The program may also be designed to implement part of the functions described above, or may be designed to realize the functions described above in combination with programs already stored in the computer system.

[0073] Furthermore, when applied to a personal computer (hereinafter referred to as a PC), the program for the above-described control can be provided via a recording medium such as a CD-ROM or DVD-ROM, or via a data signal via the Internet, etc. FIG. 9 shows this. PC 950 receives the program via CD-ROM 953. PC 950 also has a function for connecting to communication line 951. Computer 952 is a server computer that provides the program, and stores the program on a recording medium such as a hard disk. Communication line 951 is a communication line such as the Internet or personal computer communication, or a dedicated communication line. Computer 952 reads the program using the hard disk and transmits the program to PC 950 via communication line 951. That is, the program is carried as a data signal by a carrier wave and transmitted via communication line 951. In this way, the program can be supplied as a computer-readable computer program product in various forms, such as a recording medium or a carrier wave.

[0074] (Aspect) It will be understood by those skilled in the art that the above-described exemplary embodiments or variations are examples of the following aspects.

[0075] (Item 1) A processing device (information processing unit 40) for information relating to analysis according to one embodiment includes a display control unit that causes a display device to display first information (substance information), which is information about each substance in a sample analysis, and second information (substance group information), which is information about the analysis of each substance group consisting of a plurality of different substances, and the display control unit displays the first information in a switchable manner, or displays the first information in a switchable manner to display or hide the second information. This enables the processing device to provide information about substance groups and the substances that make up the substance groups in an easy-to-understand manner, regarding the analysis of a sample.

[0076] (Item 2) In another aspect of the analysis-related information processing device, in the analysis-related information processing device of item 1, the second information can include at least one of the number of the plurality of different substances in the substance group, the number of the plurality of different substances detected in the analysis, the names of the substances detected in the analysis, and the total value of the detected amounts or concentrations of the plurality of different substances in the analysis. This allows the processing device to provide this information, which is important when examining the analysis results of a substance group, in an easy-to-understand manner.

[0077] (Item 3) In another aspect of the analytical information processing device of the aspect 1 or 2, the display control unit can perform at least one of switching between the first information and the second information and switching between displaying and hiding the second information for each of one or more selected substance groups, thereby enabling the processing device to flexibly perform display according to the needs of the user.

[0078] (4) In another embodiment of the analysis-related information processing device, in the analysis-related information processing device of the embodiment of paragraphs 1 or 2, the display control unit can simultaneously perform at least one of switching between the first information and the second information and switching between displaying and hiding the second information for all substance groups. This allows the user to switch the display with a simple operation and efficiently view information.

[0079] (Item 5) In another aspect of the analytical information processing device of any one of items 1 to 4, the display control unit can switchably display rows or columns indicating the second information in addition to a table indicating the first information. This allows the user to flexibly adjust whether or not to display information about substance groups while viewing information about substances.

[0080] (Item 6) In another aspect of the apparatus for processing information relating to analysis, in the apparatus for processing information relating to analysis of any of items 1 to 5, some or all of the plurality of different substances may be included in a plurality of substance groups. This allows the apparatus to provide easy-to-understand information about substance groups and the substances that make up the substance groups, relating to the analysis of a sample, even when a substance belongs to a plurality of substance groups.

[0081] (Item 7) In another aspect of the analysis-related information processing device, in any of items 1 to 6, a notification unit can be provided that notifies the user when the total value of the detected amounts or concentrations of the plurality of different substances in the substance group, or the number of the plurality of different substances detected in the substance group, satisfies a condition based on a threshold. This allows the processing device to clearly communicate to the user the relationship between the amount or concentration of the substance group and the threshold for the substance group being analyzed.

[0082] (Item 8) In another aspect of the analytical information processing device, the analytical information processing device of any of items 1 to 7 can be provided with a setting unit that sets the grouping of multiple different substances into substance groups based on user input. This allows the user to flexibly set substance groups as needed, enabling detailed data analysis.

[0083] (Item 9) In another aspect of the analytical information processing device of any of items 1 to 8, the plurality of different substances may be substances whose total amount or concentration of the plurality of different substances contained in an article is subject to regulation. This makes it possible to provide information about the group of substances in a sample in an easy-to-understand manner from a regulatory perspective.

[0084] (Item 10) In another aspect of the apparatus for processing information relating to analysis, in the apparatus for processing information relating to analysis according to any one of items 1 to 9, the analysis includes at least one of mass spectrometry, chromatography, pyrolysis gas chromatography, chromatography / mass spectrometry, and pyrolysis gas chromatography / mass spectrometry. This makes it possible to separate various types of molecules in a sample and accurately detect substances contained in the substance group being analyzed.

[0085] (Item 11) An analytical device according to one aspect includes a processing device for information relating to analysis according to any one of the aspects from items 1 to 10. This enables the analytical device to analyze a sample and provide easy-to-understand information about the substance group in the sample and the substances that make up the substance group.

[0086] (Item 12) A method for displaying information related to analysis according to one embodiment includes displaying on a display device first information (substance information) that is information about each substance in a sample analysis, and second information (substance group information) that is information about the analysis of each substance group consisting of a plurality of different substances, wherein the first information and the second information are displayed in a switchable manner, or the first information is displayed in a manner that allows the second information to be displayed or hidden. This makes it possible to provide information about substance groups and the substances that make up the substance groups in a sample analysis in an easy-to-understand manner.

[0087] (Item 13) A program according to one aspect is a program for causing a computer to perform a display process (corresponding to steps S1005 to S1011 in the flowchart of FIG. 6) that displays on a display device first information (substance information), which is information about each substance in a sample analysis, and second information (substance group information), which is information about the analysis of each substance group consisting of a plurality of different substances, wherein in the display process, the first information and the second information are displayed in a switchable manner, or the first information is displayed in a manner that allows the second information to be displayed or hidden. This enables the computer to provide information about substance groups and the substances that make up the substance groups in an easy-to-understand manner regarding the sample analysis.

[0088] The present invention is not limited to the above-described embodiments, and other embodiments that are conceivable within the scope of the technical concept of the present invention are also included within the scope of the present invention. [Explanation of symbols]

[0089] 10...GC, 20...MS, 40...information processing unit, 43...storage unit, 44...display unit, 50...control unit, 51...setting unit, 52...device control unit, 53...information generation unit, 54...display control unit, 55...notification unit, 100...measuring unit, C11 ,C21...Substance group name item, C12...Substance name item, C13...1st retention time item, C14...1st quantitative ion item, C15...1st confirmation ion item, C16...1st ion ratio item, C17...detection item, C18...concentration item , C130...second retention time item, C140...second quantitative ion item, C150...second confirmation ion item, C160...second ion ratio item, C22...number of substances item, C23...number of detected substances item, C24...total value item, D1, D2...display screen, SE1...first screen element, SE2...second screen element, SE3...third screen element, SE4...fourth screen element, SE5...fifth screen element, TG, TG1, TGX, TGY, TS, TS1, TSX, TSY...table.

Claims

1. a setting unit for setting a grouping of a plurality of different substances into substance groups based on a user's input; a display control unit that displays, on a display device, first information, which is information about each substance included in the substance group set by the setting unit regarding the analysis of a sample, and second information, which is information about the analysis for each substance group set by the setting unit, as character strings; The display control unit displays the first information and the second information in a switchable manner, or displays the first information in a switchable manner to display or hide the second information.

2. 2. The analysis information processing device according to claim 1, A processing device for information related to analysis, wherein the second information includes at least one of the number of the plurality of different substances in the substance group, the number of the plurality of different substances detected in the analysis, a name indicating the substance detected in the analysis, and a total value of the detected amount or concentration of the plurality of different substances in the analysis.

3. 3. The analysis information processing device according to claim 1, The display control unit is a processing device for information relating to analysis that performs at least one of switching between the first information and the second information, and switching between displaying and hiding the second information for each selected group of substances or a plurality of selected groups of substances.

4. 3. The analysis information processing device according to claim 1, The display control unit is a processing device for information relating to analysis that performs at least one of switching between the first information and the second information and switching between displaying and hiding the second information collectively for all substance groups.

5. 5. The analysis information processing device according to claim 1, The display control unit is a processing device for processing information related to analysis that switchably displays rows or columns indicating the second information in addition to a table indicating the first information.

6. 6. The analysis information processing device according to claim 1, A device for processing information relating to analysis, wherein some or all of the plurality of different substances are included in a plurality of groups of substances.

7. 7. The apparatus for processing information about analysis according to claim 1, A processing device for information related to analysis, comprising a notification unit that issues a notification when the total detected amount or concentration of the plurality of different substances in the substance group, or the number of the plurality of different substances detected in the substance group, satisfies a condition based on a threshold value.

8. 8. The processing device for information on analysis according to claim 1, The processing device for information relating to analysis, wherein the plurality of different substances are substances that are subject to regulation when the total amount or concentration of the plurality of different substances contained in an item is equal to the amount or concentration of the plurality of different substances.

9. 9. The apparatus for processing information about analysis according to claim 1, A device for processing information relating to an analysis, wherein the analysis includes at least one of mass spectrometry, chromatography, pyrolysis gas chromatography, chromatography / mass spectrometry, and pyrolysis gas chromatography / mass spectrometry.

10. An analytical device comprising a processing device for information relating to an analysis according to any one of claims 1 to 9.

11. establishing a grouping of a plurality of different substances into substance groups based on user input; After the grouping is set, first information, which is information for each substance included in the substance group set for the analysis of the sample, and second information, which is information about the analysis for each of the set substance groups, are displayed on a display device using character strings; A method for displaying information obtained by analysis, wherein the first information and the second information are displayed in a switchable manner, or the first information is displayed in a manner that allows the second information to be switched between displayed and hidden.

12. a process of grouping a plurality of different substances into substance groups based on a user input; a program for causing a computer to perform a display process of displaying, on a display device, first information, which is information for each substance included in a substance group set for sample analysis, and second information, which is information about the analysis for each set substance group, in the form of character strings, after the grouping setting process; In the display process, the first information and the second information are displayed in a switchable manner, or the first information is displayed in a switchable manner between displaying and hiding the second information.

Images