Processing unit, system, and program

Abstract

The present invention provides a processing device, system, and program for displaying analytical values ​​and instrument information of a test sample. [Solution] A processing apparatus comprising an information acquisition unit 410 and a display unit 420, wherein the information acquisition unit 410 acquires the measurement date and time when measurement profiles of multiple identical samples measured by an X-ray analyzer are acquired, the analysis values ​​based on the measurement profiles, the device information including measurement environment information or status information of the X-ray analyzer, and the device information date and time when the device information is acquired; the display unit 420 displays an analysis value trend graph with the analysis values ​​on the vertical axis and the measurement date and time on the horizontal axis, and a device information trend graph with the device information on the vertical axis and the device information date and time on the horizontal axis, and the scale of the horizontal axis of the analysis value trend graph and the device information trend graph are equal.

Description

TECHNICAL FIELD

[0001] The present invention relates to a processing apparatus and a system for displaying analysis values of a test sample and apparatus information, and a program for displaying analysis values of a test sample and apparatus information.

BACKGROUND ART

[0002] At sites of quality control for measurement samples, a plurality of samples of the same type may be analyzed. At this time, when an abnormality occurs in the analysis values, such as when the analysis values do not satisfy a predetermined criterion, it is necessary to identify the cause. Conventionally, measurement apparatuses have been prepared to be free of abnormalities by performing regular maintenance including measurement of standard samples and the like. Therefore, it was clear that the cause of the abnormality in the analysis values resided in the sample.

[0003] Patent Document 1 discloses a technology that determines the necessity of maintenance by measuring a standard sample, and also determines the necessity of maintenance by displaying changes in the reliability accuracy of the entire analyzer or each unit in a graph.

[0004] Further, Patent Document 2 discloses a technology that visualizes maintenance states including a plurality of maintenance results, alarms, maintenance intervals, and the number of component driving times of an automatic analyzer with quantitative numerical values, displays the states in a graph, and updates the states at regular intervals to determine the necessity of maintenance.

PRIOR ART DOCUMENTS

PATENT DOCUMENTS

[0005]

PATENT DOCUMENT 1

PATENT DOCUMENT 2

SUMMARY OF THE INVENTION

PROBLEMS TO BE SOLVED BY THE INVENTION

[0006] The technology described in Patent Document 1 requires periodic measurement of standard samples to determine the need for maintenance, which is time-consuming and costly. Furthermore, the technology described in Patent Document 2 merely weights and quantifies multiple maintenance items, and while maintenance can be performed based on alarm occurrence, exceeding maintenance intervals, or reaching the number of drive cycles for parts, these are all merely equivalent to periodic maintenance.

[0007] The inventors focused on the fact that the same type of sample is analyzed multiple times in quality control settings. As a result, they discovered that by displaying the analytical values ​​of the measured sample and information other than the measured sample (e.g., measurement environment, status of the measuring device) side by side in multiple trend charts, it is possible to estimate whether the cause of an abnormality in the analytical value lies with the sample or the measuring device, even when periodic maintenance measurements are not performed. This led to the completion of the present invention.

[0008] This invention has been made in view of these circumstances, and aims to provide a processing device, a system, and a program for displaying analytical values ​​and device information of a test sample. [Means for solving the problem]

[0009] (1) In order to achieve the above objective, the processing apparatus of the present invention employs the following means. That is, one aspect of the present invention is a processing apparatus that displays analytical values ​​and device information of a test sample, wherein the processing apparatus comprises an information acquisition unit and a display unit, the information acquisition unit acquires the measurement date and time on which measurement profiles of a plurality of the same type of test samples measured by an X-ray analyzer were acquired, and the analytical values ​​based on the measurement profiles, the information acquisition unit further acquires the device information including measurement environment information of the X-ray analyzer or status information of the X-ray analyzer, and the device information date and time on which the device information was acquired, the display unit displays an analytical value trend chart with the analytical values ​​on the vertical axis and the measurement date and time on the horizontal axis, and further displays a device information trend chart with the device information on the vertical axis and the device information date and time on the horizontal axis, characterized in that the scale of the horizontal axis of the analytical value trend chart and the device information trend chart are equal.

[0010] (2) In addition, in an apparatus according to one aspect of the present invention, the apparatus further comprises a determination unit which determines whether the analysis value is abnormal or not based on predetermined criteria, and the display unit which, if there is an analysis value that the determination unit has determined to be abnormal, displays information indicating the analysis value that has been determined to be abnormal on the analysis value trend chart.

[0011] (3) In addition, in an apparatus according to one aspect of the present invention, the apparatus further comprises a cause estimation unit, the cause estimation unit is characterized in that, if there is an analysis value that the determination unit has determined to be abnormal, it estimates whether the abnormality is caused by the sample under test or the device information based on the analysis value, the measurement date and time, the device information, and the device information date and time.

[0012] (4) Furthermore, in an apparatus according to one aspect of the present invention, the cause estimation unit is characterized in that it determines the correlation coefficient between the analysis value and the device information using the measurement date and time and the device information date and time as mediating variables, and estimates that the abnormality is caused by the device information if the correlation coefficient is greater than or equal to a predetermined value.

[0013] (5) Furthermore, in an apparatus according to one aspect of the present invention, the cause estimation unit includes a machine learning model that takes the analysis value, the measurement date and time, the device information, and the device information date and time as inputs and outputs the estimated cause of the abnormality, and is characterized in that it estimates the cause of the abnormality based on the output of the machine learning model.

[0014] (6) In addition, in an apparatus according to one aspect of the present invention, the machine learning model is characterized in that it is a neural network model.

[0015] (7) Furthermore, in an apparatus according to one aspect of the present invention, the measurement environment information of the X-ray analyzer is characterized in that it includes at least one of the temperature, humidity, pressure, gas flow rate in the case of a gas atmosphere, or gas pressure of the measurement environment.

[0016] (8) In addition, in an apparatus according to one aspect of the present invention, the status information of the X-ray analyzer is characterized in that it includes at least one of the X-ray output of the X-ray analyzer, the tube voltage, the flow rate of the cooling water, or the temperature of the cooling water.

[0017] (9) In addition, in an apparatus according to one aspect of the present invention, the display unit is characterized in that it simultaneously displays the analysis value trend chart and the device information trend chart side by side in a vertical arrangement.

[0018] (10) In addition, in an apparatus according to one aspect of the present invention, the information acquisition unit acquires the event occurrence date and time, which is the date and time when an event occurred in the X-ray analyzer, and the display unit displays the event occurrence date and time on the corresponding date and time in the analysis value trend chart and the apparatus information trend chart.

[0019] (11) Furthermore, in an apparatus according to one aspect of the present invention, the apparatus further comprises a cause estimation unit, the information acquisition unit acquires an event occurrence date and time which is the date and time when an event occurred in the X-ray analyzer, the display unit displays the event occurrence date and time on the corresponding date and time of the analysis value trend chart and the device information trend chart, and the cause estimation unit, if there is an analysis value which the determination unit has determined to be abnormal, estimates whether the abnormality is caused by the sample under test or the device information based on the analysis value, the measurement date and time, the device information, and the device information date and time during a predetermined period before and after the event occurrence date and time.

[0020] (12) In addition, in an apparatus according to one aspect of the present invention, the apparatus further comprises a cause estimation unit, wherein the information acquisition unit acquires information regarding the event occurrence date and time, which is the date and time when an event occurred in the X-ray analyzer, and the type of event in the X-ray analyzer, the display unit displays the event occurrence date and time on the corresponding date and time in the analysis value trend chart and the device information trend chart, and the cause estimation unit, if there is an analysis value that the determination unit has determined to be abnormal, estimates whether the abnormality is caused by the sample under test or the device information based on the type of event and the analysis value, measurement date and time, device information, and device information date and time during a predetermined period before and after the event occurrence date and time.

[0021] (13) In addition, in an apparatus according to one aspect of the present invention, the information acquisition unit acquires the event occurrence date and time, which is the date and time when an event occurred in the X-ray analyzer, multiple times, and the cause estimation unit estimates the cause of the abnormality based on the analysis value, the measurement date and time, the apparatus information, and the apparatus information date and time acquired during the period between the event occurrence date and time and another event occurrence date and time.

[0022] (14) Further, in the processing device according to one aspect of the present invention, when there exists the analysis value determined to be abnormal by the determination unit, the display unit displays one measurement profile that is the origin of the analysis value determined to be abnormal, another type of analysis value based on the one originating measurement profile, or information indicating the analysis process for calculating the analysis value determined to be abnormal.

[0023] (15) Further, a system according to one aspect of the present invention is characterized by comprising: an X-ray analyzer including an X-ray generation unit that generates X-rays, a detector that detects X-rays, a sample stage on which a test sample is placed, and a mechanism for measuring or acquiring the device information; and the processing device according to any one of the above (1) to (14).

[0024] (16) Further, a program according to one aspect of the present invention is a program for displaying analysis values of a test sample and device information, the program causing a computer to execute: a process of acquiring the measurement date and time at which a plurality of measurement profiles of the same type of the test sample measured by an X-ray analyzer are acquired, and the analysis values based on the measurement profiles; a process of acquiring the device information including measurement environment information of the X-ray analyzer or status information of the X-ray analyzer, and the device information date and time at which the device information is acquired; a process of displaying an analysis value trend chart with the vertical axis representing the analysis values and the horizontal axis representing the measurement date and time; and a process of displaying a device information trend chart with the vertical axis representing the device information and the horizontal axis representing the device information date and time, wherein the scales of the horizontal axes of the analysis value trend chart and the device information trend chart are equal to each other. [Brief Description of the Drawings]

[0025] [Figure 1] This is a conceptual diagram showing an example of the configuration of the system. [Figure 2] This is a block diagram showing an example of the configuration of a control device and a processing device. [Figure 3] This is a block diagram showing a modification of the configuration of the control device and the processing device. [Figure 4]This is a block diagram showing an example of the configuration of the processing apparatus according to Embodiment 1. [Figure 5] This flowchart shows an example of the operation of the processing apparatus according to Embodiment 1. [Figure 6] This is a schematic diagram showing an example of a screen displayed by the processing unit. [Figure 7] This is a block diagram showing an example of the configuration of the processing apparatus according to Embodiment 2. [Figure 8] This flowchart shows an example of the operation of the processing apparatus according to Embodiment 2. [Figure 9] This is a schematic diagram showing an example of a screen displayed by the processing unit. [Figure 10] (a) and (b) are schematic diagrams showing examples of parts of the screen displayed by the processing unit. [Figure 11] (a) and (b) are schematic diagrams showing examples of parts of the screen displayed by the processing unit. [Figure 12] (a) and (b) are schematic diagrams showing examples of parts of the screen displayed by the processing unit. [Figure 13] This is a block diagram showing an example of the configuration of the processing apparatus according to Embodiment 3. [Figure 14] This flowchart shows an example of the operation of the processing apparatus according to Embodiment 3. [Figure 15] This is a flowchart illustrating an example of a machine learning model generation method. [Figure 16] This is a schematic diagram showing the screen created and displayed based on the data from Example 1. [Figure 17] This is a schematic diagram showing the screen created and displayed based on the data from Example 2. [Modes for carrying out the invention]

[0026] Next, embodiments of the present invention will be described with reference to the drawings. To facilitate understanding of the description, the same reference numerals are used for identical components in each drawing, and redundant descriptions are omitted.

[0027] [Embodiment] [system] Figure 1 is a conceptual diagram showing an example of the configuration of the system 100 of the present invention. The system 100 includes an X-ray analyzer 200, a control device 300, and a processing device 400. By using such a system 100, analytical values ​​and instrument information can be confirmed on the same time axis scale. Note that the configuration shown in Figure 1 is just one example, and various other configurations can be adopted.

[0028] In Figure 1, the control device 300 and the processing unit 400 are shown as the same PC. However, as shown in Figure 2, the processing unit 400 may be configured as a separate device from the control device 300. Figure 2 is a block diagram showing an example of the configuration of the control device 300. Also, as shown in Figure 3, the processing unit 400 may be configured as a part of the functions included in the control device 300. Figure 3 is a block diagram showing a modified configuration of the control device 300. Furthermore, the processing unit 400 and the control device 300 may be configured as an integrated device. Below, we will describe the case where the control device 300 and the processing unit 400 are configured as separate devices.

[0029] [X-ray analyzer] The X-ray analyzer 200 comprises an optical system that incidents X-rays onto a sample and detects reflected X-rays, scattered X-rays, diffracted X-rays, etc., generated from the sample. The X-ray analyzer 200 includes an X-ray generator 210 that generates X-rays from an X-ray focal point, i.e., an X-ray source, a sample stage 240 on which the sample to be examined is placed, and a detector 260 that detects X-rays. The X-ray analyzer 200 may also include an incident optical unit 220, a goniometer 230 that controls the rotation of the sample to be examined, or an exit optical unit 250. The X-ray generator 210, incident optical unit 220, goniometer 230, sample stage 240, exit optical unit 250, and detector 260 that constitute the X-ray analyzer 200 can be general-purpose components, so their explanation is omitted.

[0030] The X-ray analyzer 200 is equipped with a mechanism for measuring or acquiring device information, including measurement environment information or status information. The measurement environment information of the X-ray analyzer 200 preferably includes at least one of the following: temperature, humidity, pressure, gas flow rate (in the case of a gas atmosphere), or gas pressure. The status information of the X-ray analyzer 200 preferably includes at least one of the following: X-ray output, tube voltage, cooling water flow rate, or cooling water temperature. This information can be acquired by output from a mechanism for measuring or acquiring device information, such as a thermometer, flow meter, or various sensors, provided in the X-ray analyzer 200. The device information of the X-ray analyzer 200 is preferably output continuously, intermittently, or intermittently from the thermometer, flow meter, or various sensors provided in the X-ray analyzer 200. This makes it easier to display the acquired device information on a device information trend chart with time as the horizontal axis, and to monitor changes in this information.

[0031] The X-ray analyzer 200 repeatedly moves its rotation axis and projects X-rays under predetermined conditions. This irradiates the sample under test with X-rays and acquires measurement profiles such as the X-ray reflectance profile and the X-ray small-angle scattering profile. The X-ray analyzer 200 transmits device information and the acquired measurement profiles to the control device 300.

[0032] [Control device] The control device 300 is connected to the X-ray analyzer 200 and controls the X-ray analyzer 200, processes the acquired data, and stores it. The control device 300 is a device equipped with a CPU and memory, and may be a PC terminal or a server on the cloud. Furthermore, not only the entire system, but also some of the devices or some of the functions within the system may be located on the cloud.

[0033] The control unit 300 is composed of a computer with a CPU (Central Processing Unit), ROM (Read Only Memory), RAM (Random Access Memory), and memory connected to a bus. The control unit 300 is connected to the X-ray analyzer 200 and receives information such as measurement profiles and device information.

[0034] The control device 300 comprises a control unit 310, a device information storage unit 320, a measurement data storage unit 330, and a display unit 340. Each unit can send and receive information via the control bus L. The input device 510 and the display device 520 are connected to the CPU via appropriate interfaces. The input device 510 is, for example, a keyboard or mouse, and provides input to the control device 300. The display device 520 is, for example, a display, and displays measurement profiles and the like.

[0035] The control unit 310 controls the operation of the X-ray analyzer 200. The device information storage unit 320 stores device information of the X-ray analyzer 200 obtained from the X-ray analyzer 200. The device information of the X-ray analyzer 200 includes measurement environment information or status information. The device information of the X-ray analyzer 200 may also include various information about the X-ray analyzer 200, such as the device name, type of radiation source, wavelength, and background.

[0036] The measurement data storage unit 330 stores measurement data, including the measurement profile and the date and time of measurement, acquired from the X-ray analyzer 200. In addition to the measurement profile and the date and time of measurement, the measurement data may also include various information about the X-ray analyzer 200, such as the type of radiation source, wavelength, and background. The display unit 340 displays the measurement data on the display device 520. This allows the user to confirm the measurement data. Furthermore, the user can give instructions and specifications to the control device 300 and the processing device 400 based on the measurement data.

[0037] (Embodiment 1) [Processing device] Embodiment 1 describes a processing device that displays both an analysis value trend chart and an instrument information trend chart. Figure 4 is a block diagram showing an example of the configuration of the processing device 400 according to Embodiment 1. The processing device 400 may be connected to the X-ray analyzer 200 via a control device 300 that controls the X-ray analyzer 200, or directly to the X-ray analyzer 200. The same applies to the following embodiments.

[0038] The processing unit 400 displays the analytical values ​​of the test sample and device information. The processing unit 400 is composed of a computer with a CPU, ROM, RAM, and memory connected to a bus. The processing unit 400 may be a PC terminal or a server on the cloud. Furthermore, not only the entire system, but also some of the system or some functions within the system may be provided on the cloud. If the processing unit 400 and the control unit 300 have different configurations, the input device 510 and the display device 520 are connected to the CPU of the processing unit 400 via an appropriate interface. In this case, the input device 510 and the display device 520 may be different from those connected to the control unit 300. The input device 510 is, for example, a keyboard and mouse, and provides input to the processing unit 400. The display device 520 is, for example, a display, and displays the analytical values ​​of the test sample, the measurement date and time, an analytical value trend chart, device information, the device information date and time, a device information trend chart, predetermined criteria for determining whether the analytical values ​​are abnormal or not, information indicating analytical values ​​that have been determined to be abnormal, the event occurrence date and time, information regarding the type of event, and the estimated cause of the abnormality.

[0039] The processing unit 400 includes an information acquisition unit 410 and a display unit 420. Each unit can send and receive information via the control bus L.

[0040] The information acquisition unit 410 acquires the measurement date and time when measurement profiles of multiple identical test samples measured by the X-ray analyzer 200 were acquired, and the analysis values ​​based on the measurement profiles. The information acquisition unit 410 also acquires device information, including measurement environment information or status information of the X-ray analyzer 200, and the date and time when the device information was acquired. The information acquisition unit 410 may acquire various information directly from the X-ray analyzer 200 or via the control device 300. Alternatively, it may acquire various information stored in the storage unit of the control device 300 or other storage device after measurement by the X-ray analyzer 200. The analysis values ​​may be values ​​analyzed by the control device 300 or other device from the measurement profiles of the test samples. Alternatively, the analysis values ​​may be values ​​that were analyzed in advance by another functional unit of the processing device 400 from the measurement profiles before the information acquisition unit 410 acquires the information.

[0041] The measurement environment information acquired by the information acquisition unit 410 preferably includes at least one of the following: temperature, humidity, pressure, gas flow rate (in the case of a gas atmosphere), or gas pressure of the measurement environment. By acquiring such information and displaying it on the device information trend chart, changes in the measurement environment of the X-ray analyzer 200 can be monitored.

[0042] The status information acquired by the information acquisition unit 410 preferably includes at least one of the X-ray output, tube voltage, cooling water flow rate, or cooling water temperature of the X-ray analyzer 200. By acquiring such information and displaying it on the device information trend chart, changes in the status of the X-ray analyzer 200 can be monitored.

[0043] The information acquisition unit 410 may acquire the event occurrence date and time, which is the date and time when an event occurred in the X-ray analyzer 200. The event occurrence date and time may be acquired multiple times for each different event. When the information acquisition unit 410 acquires the event occurrence date and time, it may also acquire information regarding the type of event in the X-ray analyzer 200. An event in the X-ray analyzer 200 includes maintenance performed on the X-ray analyzer 200 or peripheral equipment that may change the analysis values. Information regarding the type of event in the X-ray analyzer 200 includes, for example, replacement of important parts of the equipment such as X-ray tubes or filaments, replacement of cooling water, adjustment of the optical system, and relocation of the equipment. When the information acquisition unit 410 acquires information regarding the event occurrence date and time or the type of event (event information), it may notify the display unit 420 of the event information.

[0044] The display unit 420 creates an analysis value trend chart with the analysis value on the vertical axis and the measurement date and time on the horizontal axis, and displays it on the display device 520 or the like. The display unit 420 also creates a device information trend chart with the device information on the vertical axis and the device information date and time on the horizontal axis, and displays it on the display device 520 or the like. At this time, the display unit 420 creates and displays the analysis value trend chart and the device information trend chart so that the horizontal axis scales are equal. By displaying the analysis value trend chart and the device information trend chart so that the horizontal axis scales are equal in this way, changes in both can be observed simultaneously, making it easier to observe changes in either value, or whether there is a change in one value in relation to a change in the other value, even when periodic maintenance measurements are not performed on the X-ray analyzer 200.

[0045] The display unit 420 preferably displays the analysis values ​​and the instrument information trend chart vertically and simultaneously. By aligning the time axis and displaying them vertically and simultaneously, it becomes easier to observe changes in both the analysis values ​​and the instrument information at the same time, and it becomes easier to observe whether there is a change in either value, or whether there is a change in the other value in relation to a change in one value.

[0046] When the information acquisition unit 410 acquires the date and time of an event, it is preferable for the display unit 420 to display the date and time of the event on the corresponding date and time on the analysis value trend chart and the device information trend chart. The method of displaying the date and time of the event on the corresponding date and time on the analysis value trend chart and the device information trend chart can be any method that is easy to understand on the screen of the display device 520 or the like. For example, a straight line of the same type or color may be displayed on the corresponding date and time on the analysis value trend chart and the device information trend chart. This makes it possible to simultaneously observe the changes in both the analysis value and the device information before and after the date and time of the event, and makes it easier to observe whether there is a change in either value, or whether there is a change in the other value in relation to a change in one value.

[0047] When the information acquisition unit 410 acquires information regarding the date and time of an event and the type of event, it is preferable that the display unit 420 displays the information regarding the date and time of the event and the type of event on the corresponding date and time of the analysis value trend chart and the device information trend chart using different display methods for each type of event. The method of displaying the information regarding the date and time of the event and the type of event on the corresponding date and time of the analysis value trend chart and the device information trend chart using different display methods for each type of event may be any method that is easy to understand on the screen of the display device 520 or the like. For example, different types or different colored lines may be displayed on the corresponding date and time of the analysis value trend chart and the device information trend chart for each type of event. The display for each type of event may be a display that changes the color or thickness of the line to indicate that it is a different event, or a display that highlights a part of it. Different displays may be used depending on the importance of the event. This makes it possible to simultaneously observe the changes in both the analysis value and the device information before and after the date and time of the event for each type of event, and makes it easier to observe whether there is a change in either value, or whether there is a change in one value in relation to a change in the other value.

[0048] Figure 5 is a flowchart illustrating an example of the operation of the processing device 400 according to Embodiment 1. Figure 5 shows an example of operation when both the analysis value trend chart and the device information trend chart are displayed. First, the processing device 400 acquires analysis values, measurement date and time, device information, and device information date and time using the information acquisition unit 410 (step S1). Next, based on the various information acquired by the information acquisition unit 410, the display unit 420 creates and displays the analysis value trend chart and the device information trend chart (step S2), and then terminates. At this time, the display unit 420 creates and displays the analysis value trend chart and the device information trend chart so that their horizontal axis scales are equal. In this way, both the analysis value trend chart and the device information trend chart can be displayed.

[0049] Figure 6 is a schematic diagram showing an example of a screen displayed by the processing unit 400. Figure 6 simultaneously displays three analysis value trend charts: an analysis value trend chart for analysis value 1 (quantitative value of calcite), an analysis value trend chart for analysis value 2 (quantitative value of corundum), and an instrument information trend chart for instrument information 1 (Cabinet Temperature (deg)), all arranged vertically with the same scale on the horizontal axis, which represents time. In addition, the dates and times of multiple events are displayed as vertical lines on the corresponding dates and times in the analysis value trend chart and the instrument information trend chart.

[0050] (Embodiment 2) [Processing device] Embodiment 2 describes a processing device that displays information indicating analysis values ​​determined to be abnormal on an analysis value trend chart. The analysis value trend chart and device information trend chart, other than the information to be acquired and the information indicating analysis values ​​determined to be abnormal, are the same as in Embodiment 1, so only the differences will be described. Note that the features described in the different embodiments are all mutually applicable. Figure 7 is a block diagram showing an example of the configuration of the processing device 400 according to Embodiment 2. As shown in Figure 7, it is preferable that the processing device 400 includes a determination unit 430 in addition to the information acquisition unit 410 and the display unit 420.

[0051] The determination unit 430 determines whether an analysis value is abnormal or not based on predetermined criteria. If there are analysis values ​​that the determination unit 430 has determined to be abnormal, it may notify the display unit 420 of determination information indicating which analysis value at which measurement date and time was determined to be abnormal and by what predetermined criteria. If there are analysis values ​​that the determination unit 430 has determined to be abnormal, the display unit 420 displays information indicating the analysis values ​​that have been determined to be abnormal on the analysis value trend chart. In this way, when an analysis value is abnormal, it is displayed on the analysis value trend chart, and by displaying both the analysis value trend chart and the device information trend chart, the cause of the abnormal analysis value can be examined by comparing the two. Even if the determination unit 430 is provided, the analysis value trend chart when there are no analysis values ​​that have been determined to be abnormal does not need to include information indicating the analysis values ​​that have been determined to be abnormal.

[0052] The information indicating an analysis value that has been determined to be abnormal may be displayed in any way that is easy to understand on the screen of the display device 520 or the like. For example, if an upper or lower limit is set for a certain analysis value, the information indicating an analysis value that has been determined to be abnormal may be a color or a display that highlights the analysis value displayed on the analysis value trend chart of that analysis value to indicate that the analysis value has exceeded the upper or lower limit. Alternatively, if an upper or lower limit is set for a certain analysis value, the information indicating an analysis value that has been determined to be abnormal may be a straight line indicating the set upper or lower limit displayed on the analysis value trend chart of that analysis value. This is because even just such a straight line makes it relatively easy to confirm that the analysis value has exceeded the upper or lower limit. Multiple values ​​may be set for each of the upper or lower limits of the analysis value.

[0053] Various criteria can be considered from a statistical standpoint to determine whether an analytical value is abnormal or not. The predetermined criteria may be set based on the relationship between analytical values ​​acquired at different times, or on the relationship between analytical values ​​and their upper, lower, or reference values. If event information is available, the predetermined criteria may be set based on the relationship between analytical values ​​before and after the date and time of the event. For example, if an upper or lower limit is set for a certain analytical value, the predetermined criterion may be "one analytical value has exceeded the upper or lower limit." Also, for example, if a reference value is set for a certain analytical value, the predetermined criterion may be "multiple analytical values ​​that are consecutive in time (e.g., 9) are clustered on the upper or lower side of the reference value." Furthermore, for example, the predetermined criterion could be "multiple analytical values ​​that are consecutive in time (e.g., 6) are continuously increasing or decreasing," or "multiple analytical values ​​that are consecutive in time (e.g., 14) are repeatedly increasing or decreasing alternately," etc. Multiple predetermined criteria may be set simultaneously. The predetermined criteria can be arbitrarily set by the user through selection or instruction. The predetermined criteria can be set for each analytical value.

[0054] If an upper limit, lower limit, or reference value is set for a certain analysis value, the display unit 420 may display a straight line indicating the upper limit, lower limit, or reference value set for that analysis value on the analysis value trend chart, regardless of whether or not an analysis value has been determined to be abnormal.

[0055] If the determination unit 430 determines that an analysis value is abnormal, the display unit 420 can display one measurement profile that is the basis for the analysis value determined to be abnormal, other types of analysis values ​​based on that measurement profile, or information indicating the analysis process for calculating the analysis value determined to be abnormal. Other types of analysis values ​​are analysis values ​​analyzed from the same profile but from a different perspective than the analysis value determined to be abnormal. For example, if the analysis value determined to be abnormal indicates a quantitative value of a certain substance, other types of analysis values ​​may be analysis values ​​that indicate quantitative values ​​of substances other than the substance contained in the test sample. Information indicating the analysis process may include, for example, the quantitative value of the analysis result, the fitting method, etc. For example, when the user selects an analysis value determined to be abnormal in the analysis value trend chart, the display unit 420 may automatically display one measurement profile that is the basis for the selected analysis value, other types of analysis values ​​based on that measurement profile, or information indicating the analysis process for calculating the selected analysis value, or it may display an option to choose whether or not to display these. Alternatively, for example, the display unit 420 may display the above when the user selects one piece of determination information on the determination information notification screen. The display unit 420 may display, regardless of whether or not the determination unit 430 has determined an analysis value to be abnormal, one measurement profile that is the basis for a certain analysis value, other types of analysis values ​​based on that measurement profile that is the basis for the analysis value, and information indicating the analysis process for calculating the analysis value.

[0056] Figure 8 is a flowchart illustrating an example of the operation of the processing device 400 according to Embodiment 2. Figure 8 shows an example of the operation when displaying information indicating an analysis value determined to be abnormal in the analysis value trend chart. First, the processing device 400 acquires the analysis value, measurement date and time, device information, and device information date and time using the information acquisition unit 410 (step T1). Next, the determination unit 430 determines whether the analysis value is abnormal or not based on the various information acquired by the information acquisition unit 410 (step T2). If there is an analysis value that the determination unit 430 has determined to be abnormal (step T3-YES), the display unit 420 creates and displays an analysis value trend chart including information indicating the analysis value determined to be abnormal, based on the various information acquired by the information acquisition unit 410 and the determination of the determination unit 430, and also creates and displays a device information trend chart (step T4), and then terminates. The display unit 420 may add and display information indicating the analysis value determined to be abnormal to the already created analysis value trend chart.

[0057] On the other hand, if there are no analysis values ​​that the determination unit 430 has determined to be abnormal (step T3-NO), the display unit 420 creates and displays an analysis value trend chart and an equipment information trend chart based on the various information acquired by the information acquisition unit 410 and the determination of the determination unit 430 (step T5), and then terminates. In either case, the display unit 420 creates and displays the analysis value trend chart and the equipment information trend chart so that the horizontal axis scales are equal, similar to Embodiment 1. In this way, if there are analysis values ​​that the determination unit 430 has determined to be abnormal, information indicating the analysis values ​​that have been determined to be abnormal can be displayed on the analysis value trend chart.

[0058] Figure 9 is a schematic diagram showing an example of a screen displayed by the processing unit 400. In Figure 9, the analysis value trend charts for analysis value 1 to analysis value 3 are displayed on the left side of the screen. By changing the layout on the screen in Figure 9, the analysis value trend chart or the device information trend chart displayed on the screen can be changed. This allows any analysis value trend chart or any device information trend chart to be displayed with the same horizontal axis scale. On the screen in Figure 9, the user can perform operations such as adding, editing, deleting trend charts, changing the layout of trend charts, zooming, printing, reloading, and displaying event lines, based on user selection and instructions. In addition, a notification of judgment information is displayed on the upper right side of the screen, showing which analysis value at which measurement date and time was judged as abnormal according to what predetermined criteria. On the screen in Figure 9, the user can perform operations such as reapplying rules (predetermined criteria), based on user selection and instructions. In addition, event information, including information on the date and time of event occurrence and the type of event, is displayed on the lower right side of the screen. On the screen in Figure 9, the user can perform operations such as adding, editing, duplicating, and deleting events, based on user selection and instructions.

[0059] Figures 10(a) and 10(b) are schematic diagrams showing examples of parts of the screens displayed by the processing unit 400. Figure 10(a) shows a screen for setting predetermined criteria for analysis value 1 (quantitative value of Calcite). Figure 10(b) shows the analysis value trend chart for analysis value 1. In the analysis value trend chart in Figure 10(b), the two upper limits, two lower limits, and a straight line indicating the reference value set in Figure 10(a) are displayed.

[0060] Figures 11(a) and (b) are schematic diagrams showing examples of parts of the screens displayed by the processing unit 400. Figure 11(a) shows a screen that notifies judgment information. Figure 11(b) shows an analysis value trend chart for analysis value 1. In the analysis value trend chart in Figure 11(b), circles are displayed indicating which analysis value corresponds to the judgment information No. 2 selected in Figure 11(a). Such a display is an example of information indicating an analysis value that has been judged as abnormal. In this way, the processing unit 400 can display judgment information and an analysis value trend chart in association.

[0061] Figures 12(a) and 12(b) are schematic diagrams showing examples of parts of the screens displayed by the processing unit 400. Figure 12(a) shows a screen that notifies event information. Figure 12(b) shows an analysis value trend chart for analysis value 1. In the analysis value trend chart in Figure 12(b), a straight line corresponding to the event information No. 3 selected in Figure 12(a) is displayed as a thick line. In this way, the processing unit 400 can display event information in association with an analysis value trend chart or a device information trend chart.

[0062] (Embodiment 3) [Processing device] Embodiment 3 describes a processing device for estimating the cause of anomalies in the analysis values. Since it is the same as Embodiment 1 or Embodiment 2 except for estimating the cause of the anomaly, only the differences will be described. Figure 13 is a block diagram showing an example of the configuration of the processing device 400 according to Embodiment 3. As shown in Figure 13, it is preferable that the processing device 400 includes an information acquisition unit 410, a display unit 420, a determination unit 430, and a cause estimation unit 440.

[0063] If the determination unit 430 determines that an analysis value is abnormal, the cause estimation unit 440 estimates whether the abnormality is caused by the sample or the device information, based on the analysis value, measurement date and time, device information, and device information date and time. In this way, by the cause estimation unit 440 estimating whether the abnormality is caused by the sample or the device information, even if periodic maintenance measurements are not performed on the X-ray analyzer 200, it is possible to quickly recognize whether the cause of the abnormal analysis value is more likely to be in the sample or the device information, making it easier to investigate the cause of the abnormal analysis value. Multiple types of analysis values ​​or device information may be used by the cause estimation unit 440 for estimation.

[0064] The cause estimation unit 440 may determine a correlation coefficient between the analysis value and the device information, using the measurement date and time and the device information date and time as mediating variables, and may estimate that the abnormality is caused by the device information if the correlation coefficient is greater than or equal to a predetermined value. This is because a high correlation between the change in the analysis value and the change in the device information indicates a high probability that the device information is involved in the abnormality of the analysis value. The predetermined value of the correlation coefficient may be predetermined based on the analysis value or the device information, or it may be set by the user. The format of the estimation result output by the cause estimation unit 440 may be, for example, a binary format indicating whether or not the device information is the cause, or a numerical value indicating the likelihood that the device information is the cause.

[0065] The cause estimation unit 440 includes a machine learning model that takes analysis values, measurement date and time, device information, and device information date and time as inputs and outputs the estimated cause of the anomaly, and may estimate the cause based on the output of the machine learning model. This allows for the estimation of the cause of the anomaly with high accuracy if the quality of the training data for the machine learning model is high. The machine learning model may be a machine learning model trained on a set of training data that takes analysis values, measurement date and time, device information, and device information date and time as inputs and outputs the cause of the anomaly.

[0066] The machine learning model is preferably a neural network model.

[0067] The output of the machine learning model can take various forms. For example, it may be a binary format indicating whether the cause of the anomaly in the analytical value lies in the test sample or the instrument information. Alternatively, it may be a numerical value indicating which is more likely to be the cause of the anomaly in the analytical value. Note that at the stage when the cause estimation unit 440 estimates the cause of the anomaly in the analytical value, the machine learning model is assumed to have already been generated and stored. Details of the method for generating the machine learning model and the training data for generating the machine learning model will be described later.

[0068] When the information acquisition unit 410 acquires the event occurrence date and time of the X-ray analyzer 200, it is preferable that the cause estimation unit 440 estimates whether the abnormality is caused by the sample under test or the device information, based on the analysis values, measurement date and time, device information, and device information date and time during a predetermined period before and after the event occurrence date and time. This makes it possible to estimate the cause of the abnormality based on the analysis values ​​and device information during a predetermined period before and after the event occurrence date and time, and to make a more accurate estimation based on the analysis values ​​and device information separated by the event occurrence date and time. The predetermined period before and after the event may be a predetermined period before the event, a predetermined period after the event, or both. The predetermined period may be predetermined or set by the user. The predetermined period may be different periods.

[0069] When the information acquisition unit 410 acquires information regarding the type of event in addition to the date and time of the event occurrence of the X-ray analyzer 200, it is preferable that the cause estimation unit 440 estimates whether the abnormality is caused by the sample under test or the device information, based on the type of event and the analysis values, measurement date and time, device information, and device information date and time during a predetermined period before and after the event occurrence date and time. This makes it possible to estimate the cause of the abnormality based on the type of event in addition to the analysis values ​​and device information during a predetermined period before and after the event occurrence date and time, enabling more accurate estimation according to the type of event.

[0070] When the information acquisition unit 410 acquires the event occurrence date and time of the X-ray analyzer 200 multiple times, it is preferable for the cause estimation unit 440 to estimate the cause of the anomaly based on the analysis values, measurement date and time, device information, and device information date and time acquired during the period between the event occurrence date and time and another event occurrence date and time. The period between the event occurrence date and time and another event occurrence date and time may be the period between two consecutive events, or the period between two events arbitrarily selected by the user. This makes it possible to estimate the cause of the anomaly based on data within a period in which the influence of other events is eliminated as much as possible, resulting in a more accurate estimation.

[0071] Figure 14 is a flowchart illustrating an example of the operation of the processing device 400 according to Embodiment 3. Figure 14 shows an example of the operation when estimating the cause of an analysis value that has been determined to be abnormal. First, the processing device 400 acquires the analysis value, measurement date and time, device information, and device information date and time using the information acquisition unit 410 (step U1). Next, the determination unit 430 determines whether the analysis value is abnormal or not based on the various information acquired by the information acquisition unit 410 (step U2). If there is an analysis value that the determination unit 430 has determined to be abnormal (step U3-YES), the cause estimation unit 440 estimates the cause of the abnormality in the analysis value based on the various information acquired by the information acquisition unit 410 and the determination of the determination unit 430 (step U4). Then, the display unit 420 creates and displays an analysis value trend chart including information indicating the analysis value that has been determined to be abnormal, and also creates and displays a device information trend chart (step U5), and then terminates. The display unit 420 may output or display the estimated cause of the abnormality. Furthermore, the order of creating and displaying the analysis value trend chart and the device information trend chart, and estimating the cause of the anomaly, may be reversed or performed simultaneously. Also, the estimation of the cause of the anomaly may be performed according to the user's instructions. This reduces the computational cost of cause estimation when the cause of the anomaly is clear.

[0072] On the other hand, if no analysis values ​​are found to be abnormal by the determination unit 430 (step U3-NO), the display unit 420 creates and displays an analysis value trend chart and an equipment information trend chart based on the various information acquired by the information acquisition unit 410 and the determination of the determination unit 430 (step U6), and then terminates. In either case, the display unit 420 creates and displays the analysis value trend chart and the equipment information trend chart so that the horizontal axis scales are equal, similar to Embodiment 1 or Embodiment 2. In this way, if there are analysis values ​​that the determination unit 430 has found to be abnormal, the cause can be estimated.

[0073] Next, we will explain the method for generating a machine learning model. Figure 15 is a flowchart showing an example of a machine learning model generation method. First, the structure of the machine learning model is set (step V1). Setting the structure of the machine learning model involves setting the type of machine learning model to be applied and the specific structure of that machine learning model. For example, if a neural network model is used as the machine learning model, this involves setting the number of layers, the number of nodes, the type of layers, etc. The structure of the machine learning model may be configured so that it can be arbitrarily set by the user through selection, specification, input, etc.

[0074] Next, multiple training data sets are prepared (Step V2). The multiple training data sets are prepared in a format that fits the structure of the machine learning model, with analysis values, measurement date and time, device information, and device information date and time as inputs, and the cause of the anomaly as an output. The input data may also include information about the event occurrence date and time and the type of event. If the input data includes the event occurrence date and time, the analysis values, measurement date and time, device information, and device information date and time may be limited to data from a predetermined period before the event occurrence date and time, or data from a predetermined period after the event occurrence date and time, or a combination of these may be used as a set of data for the input data. If the input data includes multiple event occurrence dates and times, the analysis values, measurement date and time, device information, and device information date and time may be limited to data between two event occurrence dates and times.

[0075] Next, the machine learning model is optimized based on multiple training datasets (Step V3). The optimization of the machine learning model can be performed using general methods for that model, depending on the type of machine learning model being applied and its specific structure. Afterward, the optimized machine learning model or its parameters are saved, and the process terminates. Parameters and other information may be output as needed.

[0076] [Examples] Examples 1 and 2 used a processing apparatus configured similarly to Embodiment 2 to create and display analytical value trend charts and instrument information trend charts based on data from the test samples. In Example 1, multiple test samples used were pure cement. In Example 2, multiple test samples used were pure cement or pure cement mixed with impurities. In Example 1, the output and slit settings were changed during the measurement of multiple test samples.

[0077] Figure 16 is a schematic diagram showing the screen of the processing device created and displayed based on the analytical values, measurement date and time, device information, and device information date and time of Example 1. The analytical value trend chart displayed in Figure 16 is the analytical value trend chart of the quantitative value of Anatase identified and quantified from the measurement profile of the test sample, and the analytical value trend chart of the integrated intensity of Anatase. The displayed device information trend chart is the tube voltage. It can be seen that both the integrated intensity of Anatase and the tube voltage values ​​were low around 11:00 on 2025-03-03. By comparing and examining these and other analytical value trend charts and device information trend charts, it was possible to estimate that the anomaly in the analytical value of the integrated intensity of Anatase was due to the tube voltage, which is part of the device information.

[0078] Figure 17 is a schematic diagram showing the screen of the processing device created and displayed based on the analytical values, measurement date and time, device information, and device information date and time of Example 2. The analytical value trend chart displayed in Figure 17 is the analytical value trend chart of the quantitative value of Anatase identified and quantified from the measurement profile of the test sample, and the analytical value trend chart of the integrated intensity of Anatase. The displayed device information trend chart is the flow rate of the cooling water. Since the cooling water flow rate, which is device information, is constant, while the quantitative value of the sample is changing, it can be seen that the cause of the change in the quantitative value is not the cooling water flow rate. By comparing and examining all other device information trend charts and analytical value trend charts, it was possible to infer that the abnormality in the analytical value of the integrated intensity of Anatase was due to the test sample.

[0079] The results of Examples 1 and 2 confirmed that the processing apparatus of the present invention can display both the analytical value trend chart and the device information trend chart with the same time axis scale, and that it is possible to estimate whether the cause of the abnormality in the analytical value lies with the test sample or with the measuring device.

[0080] It goes without saying that the present invention is not limited to the embodiments described above. The scope of the present invention extends to various variations and equivalents included in the technical concept of the present invention. Furthermore, the names, structures, shapes, numbers, positions, sizes, etc., of the components shown in each drawing are for illustrative purposes only and may be changed as appropriate.

[0081] The functions of the elements disclosed herein may be implemented using circuits or processing circuits that include general-purpose processors, special-purpose processors, integrated circuits, ASICs (Application Specific Integrated Circuits), FPGAs (Field Programmable Gate Arrays), conventional circuits, and / or combinations thereof that are programmed using one or more programs stored in one or more memories, or otherwise configured to perform the disclosed functions. A processor is considered a circuit or processing circuit because it includes transistors and other circuits. A processor may be a programmed processor that executes programs stored in memory. In this disclosure, a circuit, unit, or means is hardware that performs the enumerated functions, or hardware programmed to perform the enumerated functions. Hardware may be any hardware disclosed herein that is programmed or configured to perform the enumerated functions. [Explanation of Symbols]

[0082] 100 Systems 200 X-ray analyzer 210 X-ray generation unit 220 Incident Optical Unit 230 Goniometer 240 sample stages 250 Output-side optical unit 260 detectors 300 Control device 310 Control Unit 320 Device information storage unit 330 Measurement data storage unit 340 Display section 400 Processing Units 410 Information Acquisition Department 420 Display section 430 Judgment section 440 Cause Estimation Department 510 Input device 520 Display device

Claims

1. A processing device that displays analytical values ​​and device information of a test sample, The aforementioned processing device comprises an information acquisition unit and a display unit, The information acquisition unit acquires the measurement date and time on which measurement profiles of multiple identical samples measured by the X-ray analyzer were acquired, and the analysis values ​​based on the measurement profiles. Furthermore, the information acquisition unit acquires the device information, which includes the measurement environment information of the X-ray analyzer or the status information of the X-ray analyzer, and the date and time when the device information was acquired. The display unit displays an analysis value trend chart with the vertical axis representing the analysis value and the horizontal axis representing the measurement date and time. Furthermore, the display unit displays a device information trend chart with the vertical axis representing the device information and the horizontal axis representing the date and time of the device information. The processing apparatus is characterized in that the horizontal axis scales of the analysis value trend chart and the device information trend chart are equal.

2. The processing apparatus further comprises a determination unit, The determination unit determines whether the analysis value is abnormal or not based on predetermined criteria. The processing apparatus according to claim 1, characterized in that, if there is an analysis value that the determination unit has determined to be abnormal, the display unit displays information indicating the analysis value that has been determined to be abnormal on the analysis value trend chart.

3. The processing apparatus further includes a cause estimation unit, The apparatus according to claim 2, characterized in that, if the determination unit determines that there is an abnormality in the analysis value, the measurement date and time, the device information, and the device information date and time, the cause estimation unit estimates whether the abnormality is caused by the sample under test or the device information.

4. The processing apparatus according to claim 3, wherein the cause estimation unit determines a correlation coefficient between the analysis value and the device information using the measurement date and time and the device information date and time as mediating variables, and estimates that the abnormality is caused by the device information if the correlation coefficient is greater than or equal to a predetermined value.

5. The processing apparatus according to claim 3, wherein the cause estimation unit includes a machine learning model that takes the analysis value, the measurement date and time, the device information, and the device information date and time as inputs and outputs the estimated cause of the anomaly, and estimates the cause of the anomaly based on the output of the machine learning model.

6. The processing apparatus according to claim 5, characterized in that the machine learning model is a neural network model.

7. The apparatus according to claim 1, characterized in that the measurement environment information of the X-ray analyzer includes at least one of the temperature, humidity, pressure, gas flow rate in the case of a gas atmosphere, or gas pressure of the measurement environment.

8. The processing apparatus according to claim 1, characterized in that the status information of the X-ray analyzer includes at least one of the X-ray output of the X-ray analyzer, the tube voltage, the flow rate of the cooling water, or the temperature of the cooling water.

9. The apparatus according to claim 1 or 2, characterized in that the display unit simultaneously displays the analysis value trend chart and the device information trend chart side by side in a vertical arrangement.

10. The information acquisition unit acquires the event occurrence date and time, which is the date and time when the event occurred in the X-ray analyzer. The processing apparatus according to claim 1, characterized in that the display unit displays the event occurrence date and time on the corresponding date and time on the analysis value trend chart and the device information trend chart.

11. The processing apparatus further includes a cause estimation unit, The information acquisition unit acquires the event occurrence date and time, which is the date and time when the event occurred in the X-ray analyzer. The display unit displays the event occurrence date and time on the corresponding date and time on the analysis value trend chart and the device information trend chart. The apparatus according to claim 2, wherein, if the determination unit determines that there is an abnormality in the analysis value, the determination unit estimates whether the abnormality is caused by the sample under test or the device information, based on the analysis value, the measurement date and time, the device information, and the device information date and time during a predetermined period before and after the event occurrence date and time.

12. The processing apparatus further includes a cause estimation unit, The information acquisition unit acquires information regarding the event date and time, which is the date and time when an event occurred in the X-ray analyzer, and the type of event in the X-ray analyzer. The display unit displays the event occurrence date and time on the corresponding date and time on the analysis value trend chart and the device information trend chart. The apparatus according to claim 2, wherein, if the determination unit determines that there is an abnormality in the analysis value, the determination unit estimates whether the abnormality is caused by the sample under test or the device information, based on the type of event, the analysis value during a predetermined period before and after the date and time of the event, the measurement date and time, the device information, and the device information date and time.

13. The information acquisition unit acquires the event occurrence date and time, which is the date and time when an event occurred in the X-ray analyzer, multiple times. The processing apparatus according to claim 3, characterized in that the cause estimation unit estimates the cause of the abnormality based on the analysis value, the measurement date and time, the device information, and the device information date and time obtained during the period between the event occurrence date and time and another event occurrence date and time.

14. The processing apparatus according to claim 2, wherein, if the determination unit determines that there is an analysis value that is abnormal, the display unit displays one measurement profile that is the basis for the analysis value that is determined to be abnormal, another type of analysis value based on the original measurement profile, or information indicating the analysis process for calculating the analysis value that is determined to be abnormal.

15. An X-ray analyzer comprising an X-ray generating unit for generating X-rays, a detector for detecting X-rays, a sample stage for placing the sample to be examined, and a mechanism for measuring or acquiring the device information, A system comprising the processing apparatus described in claim 1.

16. A program that displays analytical values ​​and instrument information of a test sample, A process for obtaining the measurement date and time on which measurement profiles of multiple identical samples measured by an X-ray analyzer were obtained, and the analytical values ​​based on the measurement profiles, A process for obtaining the device information, which includes measurement environment information or status information of the X-ray analyzer, and the date and time when the device information was obtained. A process to display an analysis value trend chart with the vertical axis representing the analysis value and the horizontal axis representing the measurement date and time, The computer is instructed to perform the following process: display a device information trend chart with the vertical axis representing the device information and the horizontal axis representing the date and time of the device information; A program characterized in that the horizontal axis scales of the analysis value trend chart and the device information trend chart are equal.

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