Method and device for judging the accuracy of isotope measurement results
By using curve fitting and distance judgment methods to determine isotope measurement data, the problem of isotope measurement accuracy of total evaporation-thermal ionization isotope mass spectrometry in the absence of standard substances is solved, and the accurate measurement of isotopes is achieved.
Patent Information
- Application Number
- CN202410953237.5
- Authority / Receiving Office
- CN · China
- Patent Type
- Patents(China)
- Current Assignee / Owner
- Filing Date
- 2024-07-16
- Publication Date
- 2025-03-18
- Estimated Expiration
- 2044-07-16
AI Technical Summary
In the absence of standard substances, when using isotope measurements using full evaporation-thermal ionization isotope mass spectrometry, there is a fractionation effect, affecting the accuracy of the measurement results.
By curve fitting the isotope measurement data in the coordinate system, a regression line is obtained, the first distance between the coordinate origin and the regression line is determined, and the accuracy of the isotope measurement results is judged based on the relative size of the distance and the set threshold.
In the absence of standard substances, accurate isotope measurements are achieved through total evaporation-thermal ionization isotope mass spectrometry, reducing the impact of fractionation effect on the measurement results.
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Figure CN118777414B_ABST
Abstract
Description
Technical Field
[0001] The present disclosure belongs to the field of detection technology, and more specifically, to a method and device for determining the accuracy of isotope measurement results. Background Art
[0002] For the measurement of metal element isotopes, when standard materials are lacking or the amount of sample to be measured is very small (for example, in nuclear science, when measuring uranium isotopes in the picogram range), total evaporation-thermal ionization isotope mass spectrometry (TE-TIMS) can be used. Total evaporation-thermal ionization isotope mass spectrometry can collect the ions to be measured as much as possible, and the measured isotope ratio is closer to the accurate value, but there is a fractionation effect in the measurement process, which will affect the accuracy of the measurement results. Therefore, it is urgent to propose a judgment method to judge the accuracy of total evaporation-thermal ionization isotope mass spectrometry for isotope measurement, and then obtain accurate isotope measurement results. Summary of the invention
[0003] The purpose of the present disclosure is to provide a method and device for determining the accuracy of isotope measurement results, which can achieve accurate isotope measurement by relying solely on full evaporation-thermal ionization isotope mass spectrometry in the absence of standard substances.
[0004] A first aspect of the embodiments of the present disclosure provides a method for determining the accuracy of an isotope measurement result, comprising:
[0005] Performing curve fitting on the isotope measurement data in a coordinate system to obtain a regression line; the isotope measurement data includes a plurality of data points, each of which includes a relative deviation of a first isotope ratio and a corresponding relative deviation of a second isotope ratio;
[0006] Determine a first distance between the coordinate origin of the coordinate system and the regression line;
[0007] The accuracy of the isotope measurement result is judged based on the relative size of the first distance and the first set threshold.
[0008] A second aspect of the embodiments of the present disclosure provides a device for determining the accuracy of an isotope measurement result, comprising:
[0009] A data fitting module performs curve fitting on the isotope measurement data in a coordinate system to obtain a regression line; the isotope measurement data includes a plurality of data points, each of which includes a relative deviation of a first isotope ratio and a corresponding relative deviation of a second isotope ratio;
[0010] A distance calculation module, used to determine a first distance between the origin of the coordinate system and the regression line;
[0011] The result output module is used to judge the accuracy of the isotope measurement result based on the relative size of the first distance and a first set threshold.
[0012] According to a third aspect of an embodiment of the present disclosure, an electronic device is provided, comprising a memory, a processor, and a computer program stored in the memory and running on the processor, wherein the processor implements the steps of the above-mentioned method for determining the accuracy of isotope measurement results when executing the computer program.
[0013] According to a fourth aspect of an embodiment of the present disclosure, a computer-readable storage medium is provided, wherein the computer-readable storage medium stores a computer program, and when the computer program is executed by a processor, the steps of the above-mentioned method for determining the accuracy of isotope measurement results are implemented.
[0014] The beneficial effects of the method and device for determining the accuracy of isotope measurement results provided by the embodiments of the present disclosure are:
[0015] In the disclosed embodiment, a regression line can be obtained by fitting the data points in the isotope measurement data. Ideally, there is no fractionation effect, and the fitted regression line should pass through the origin of the coordinate system. Otherwise, if there is a fractionation effect, the origin of the coordinate system is outside the regression line. The smaller the first distance between the origin of the coordinate system and the regression line, the smaller the fractionation effect. Conversely, the larger the first distance between the origin of the coordinate system and the regression line, the larger the fractionation effect. Therefore, by measuring the first distance between the origin of the coordinate system and the regression line, the degree of influence of the fractionation effect on the isotope measurement result can be obtained, and then the accuracy of the isotope measurement result can be judged.
[0016] The method of the disclosed embodiment can achieve accurate judgment of isotope measurement results, and further, in the absence of standard substances, accurate isotope measurement can be achieved by relying solely on full evaporation-thermal ionization isotope mass spectrometry. BRIEF DESCRIPTION OF THE DRAWINGS
[0017] In order to more clearly illustrate the technical solutions in the embodiments of the present disclosure, the drawings required for use in the embodiments or the description of the prior art will be briefly introduced below. Obviously, the drawings described below are only some embodiments of the present disclosure. For ordinary technicians in this field, other drawings can be obtained based on these drawings without creative work.
[0018] Figure 1 A schematic diagram of a flow chart of a method for determining the accuracy of isotope measurement results provided in one embodiment of the present disclosure;
[0019] Figure 2 A schematic diagram of a first distance calculation method provided by an embodiment of the present disclosure;
[0020] Figure 3 A structural block diagram of a device for determining the accuracy of isotope measurement results provided by an embodiment of the present disclosure;
[0021] Figure 4 A schematic block diagram of an electronic device provided by an embodiment of the present disclosure. DETAILED DESCRIPTION
[0022] In the following description, specific details such as specific system structures and technologies are provided for the purpose of illustration rather than limitation, so as to provide a thorough understanding of the embodiments of the present disclosure. However, it should be clear to those skilled in the art that the present disclosure may be implemented in other embodiments without these specific details. In other cases, detailed descriptions of well-known systems, devices, circuits, and methods are omitted to avoid obstructing the description of the present disclosure with unnecessary details.
[0023] The following is an introduction to the technical terms involved in this embodiment.
[0024] Total Evaporation-Thermal Ionization Isotope Mass Spectrometry (TE-TIMS): is a technique used for isotope analysis. Its working principle is: a strictly chemically purified liquid sample is placed on a metal wire, and then the metal wire is heated in a vacuum to evaporate the sample and produce singly charged ions. These ions carry different isotopes, which record the past of the sample like memory fragments. Through a magnetic sector mass analyzer, the ions can be separated according to the mass-to-charge ratio.
[0025] Fractionation effect: Fractionation effect refers to the phenomenon that during isotope analysis or mixture separation, due to the differences in physical or chemical properties between different isotopes or substances, their distribution ratio in different phases or substances changes.
[0026] Kinetic fractionation: Kinetic fractionation is the process of reaction rate heterogeneity due to slight differences in isotope mass. In this process, lighter isotopes tend to have higher mobility or reaction rate due to their smaller inertial mass, thus being relatively enriched in the product.
[0027] Equilibrium fractionation: Equilibrium fractionation is due to the fact that during a chemical reaction, molecules with larger isotopic masses tend to have higher vibrational energy and are therefore more easily converted from reactants to products. This results in the concentration of molecules with larger isotopic masses in the products, while molecules with smaller isotopic masses in the reactants.
[0028] Mass Fractionation: Because isotopes have different masses, they behave differently in physical, chemical, and biological processes, resulting in changes in isotopic composition.
[0029] Non-mass fractionation: Non-mass fractionation produces isotope ratio changes that do not conform to the expected pattern based on mass differences and may result in an abnormal isotope distribution.
[0030] In order to make the purpose, technical solutions and advantages of the present disclosure more clear, specific embodiments will be described below in conjunction with the accompanying drawings.
[0031] Please refer to Figure 1 , Figure 1 A flow chart of a method for determining the accuracy of isotope measurement results provided in one embodiment of the present disclosure, the method comprising:
[0032] S101: curve fitting is performed on the isotope measurement data in a coordinate system to obtain a regression line; the isotope measurement data includes a plurality of data points, each of which includes a relative deviation of a first isotope ratio and a corresponding relative deviation of a second isotope ratio.
[0033] In this embodiment, the relative deviation of the isotope ratio refers to the difference between the ratio of the two stable isotope concentrations of the test sample and the ratio of the two stable isotope concentrations in the standard substance, divided by the ratio of the standard substance, and then multiplied by 1000, expressed in ‰. Taking strontium isotopes as an example, there are 4 stable isotopes of strontium in nature. 84 Sr. 86 Sr. 87 Sr and 88 Sr, whose abundances are 0.56%, 9.86%, 7.00% and 82.58% respectively. 87 Sr is 87 The relative deviation of the first isotope ratio can be defined as δ 86 / 88 ,express 86 Sr and 88 The relative deviation of the ratio of the two isotope concentrations of Sr from the ratio of the two stable isotope concentrations in the standard material (such as NIST 987). The relative deviation of the second isotope ratio can be defined as δ 87 / 86 ,express 87 Sr and 86 The relative deviation of the ratio of the concentrations of two isotopes of Sr from the ratio of the concentrations of the two stable isotopes in the standard substance.
[0034] For example, a regression line can be obtained by fitting multiple data points in the isotope measurement data. Ideally, the relative deviation δ of the first isotope ratio is 86 / 88 The relative deviation δ of the second isotope ratio 87 / 86 are all zero, that is, the regression line passes through the origin of the coordinate system.
[0035] S102: Determine a first distance between the origin of the coordinate system and the regression line.
[0036] Please refer to Figure 2 In this embodiment, due to the fractionation effect, the origin of the coordinates is usually outside the regression line. A straight line perpendicular to the regression line can be drawn through the origin of the coordinates, and the length of the straight line is the first distance between the origin of the coordinates and the regression line. Different regression lines are obtained by fitting different isotope measurement data, and the first distances between the origin of the coordinates and the regression line are different.
[0037] S103: judging the accuracy of the isotope measurement result based on the relative size between the first distance and the first set threshold.
[0038] In this embodiment, the smaller the first distance between the origin of the coordinates and the regression line, the smaller the fractionation effect, and conversely, the larger the first distance between the origin of the coordinates and the regression line, the greater the fractionation effect. Therefore, by measuring the first distance between the origin of the coordinates and the regression line, the degree of influence of the fractionation effect on the isotope measurement result can be obtained, and then the accuracy of the isotope measurement result can be judged.
[0039] Specifically, a first set threshold can be set in advance, and the first distance is compared with the first set threshold. When the first distance is greater than the first set threshold, it indicates that the fractionation effect has a great influence on the isotope measurement result, and the isotope measurement result is inaccurate; when the first distance is less than or equal to the first set threshold, it indicates that the fractionation effect has a small influence on the isotope measurement result, and the isotope measurement result is accurate.
[0040] It can be concluded from the above that the method of this embodiment can achieve accurate judgment of isotope measurement results, and further, in the absence of standard substances, accurate isotope measurement can be achieved by relying solely on full evaporation-thermal ionization isotope mass spectrometry.
[0041] In one embodiment of the present disclosure, curve fitting is performed on the isotope measurement data in a coordinate system to obtain a regression line, including:
[0042] Draw a scatter plot in a coordinate system based on multiple data points.
[0043] Determine a regression line based on multiple centered points in a scatter plot.
[0044] In this embodiment, a specific implementation method of fitting a regression line based on isotope measurement data is provided. Figure 2 As shown, multiple data points in the isotope measurement data can be plotted in a coordinate system to obtain a corresponding scatter plot, and then multiple center points in the scatter plot are screened and connected to obtain a regression line.
[0045] Exemplarily, determining a regression line based on multiple center points in a scatter plot can be described in detail as follows:
[0046] Based on the set sliding window, multiple center points in the scatter plot are determined in sequence; the coordinate value of each center point is the average value of the coordinate values of the multiple points in the corresponding sliding window.
[0047] Determine a regression line based on multiple centered points in a scatter plot.
[0048] In one embodiment of the present disclosure, determining a first distance between a coordinate origin of a coordinate system and a regression line includes:
[0049] Determine the first and second intersections of the regression line with the two coordinate axes of the coordinate system.
[0050] A second distance between the first intersection point and the coordinate origin, a third distance between the second intersection point and the coordinate origin, and a fourth distance between the first intersection point and the second intersection point are determined.
[0051] The first distance is calculated based on the second distance, the third distance, and the fourth distance.
[0052] In this embodiment, if Figure 2 As shown, the regression line intersects the two coordinate axes in the coordinate system at P' (i.e., the first intersection point) and P" (i.e., the second intersection point), PP' and PP" are perpendicular to each other, and P', P and P" form a right triangle. The area of the right triangle can be expressed as PP'×PP" ×1 / 2 or P'P" ×D×1 / 2, where D represents the distance between the origin P and the regression line. Therefore, based on the equation PP'×PP" ×1 / 2 = P'P" ×D×1 / 2, the first distance between the origin and the regression line can be obtained as:
[0053] ,
[0054] in, represents the second distance, represents the third distance, Indicates the fourth distance.
[0055] In one embodiment of the present disclosure, the method for determining the accuracy of isotope measurement results further includes:
[0056] The isotope fractionation factor is fitted based on the first measurement data; the first measurement data is the isotope concentration data corresponding to the isotope measurement data on the regression line.
[0057] The first analysis result is determined based on the relative size of the isotope fractionation factor and the second set threshold and the third set threshold; the first analysis result is used to indicate that the fractionation process corresponding to the isotope measurement data belongs to kinetic fractionation and / or equilibrium fractionation.
[0058] In this embodiment, the isotope fractionation factor can be calculated based on the isotope concentration data corresponding to the isotope measurement data on the regression line, and then the isotope fractionation factor can be used to determine whether the fractionation process corresponding to the isotope measurement data belongs to kinetic fractionation and / or equilibrium fractionation. The first analysis result is displayed to the user to facilitate the user to understand the state and progress of the chemical reaction during the isotope measurement process.
[0059] Taking strontium isotopes as an example, if the fitted isotope fractionation factor is equal to 0.504 (the second set threshold), it indicates that the fractionation process corresponding to the isotope measurement data belongs to kinetic fractionation; if the fitted isotope fractionation factor is equal to 0.506 (the third set threshold), it indicates that the fractionation process corresponding to the isotope measurement data belongs to equilibrium fractionation; if the fitted isotope fractionation factor is equal to 0.505, which is between the second set threshold and the third set threshold, it indicates that the fractionation process corresponding to the isotope measurement data has both kinetic fractionation and equilibrium fractionation.
[0060] In one embodiment of the present disclosure, fitting an isotope fractionation factor based on the first measurement data includes:
[0061] The isotope fractionation factor is calculated by the first formula; the first formula is:
[0062]
[0063] in, represents the concentration ratio of isotope B to isotope A, It represents the concentration ratio of isotope C to isotope A, and the mass of isotope A, the mass of isotope B, and the mass of isotope C increase in sequence.
[0064] In this embodiment, the isotope fractionation factor can be calculated based on the above formula , represents the concentration ratio of isotope B to isotope A, represents the concentration ratio of isotope C to isotope A, and the fractionation factor is calculated based on the above two concentration ratios .
[0065] Strontium isotope 86 Sr. 87 Sr and 88 Sr as an example, based on The fractionation factor can be obtained ,in, Indicates isotope 87 Sr and isotopes 86 The concentration ratio of Sr, Indicates isotope 88 Sr and isotopes 86 The concentration ratio of Sr. Based on the two concentration ratios, the fractionation factor can be obtained. .
[0066] In one embodiment of the present disclosure, the method for determining the accuracy of isotope measurement results further includes:
[0067] A first ratio between the second distance and the third distance is determined.
[0068] A second ratio between the first mass difference and the second mass difference is determined; the first mass difference is the mass difference between the two isotopes corresponding to the first isotope ratio, and the second mass difference is the mass difference between the two isotopes corresponding to the second isotope ratio.
[0069] The second analysis result is determined based on the relative size of the first ratio and the second ratio; the second analysis result is used to indicate whether the fractionation process corresponding to the isotope measurement data belongs to mass fractionation or non-mass fractionation.
[0070] In this embodiment, a first ratio between the second distance and the third distance, and a second ratio between the first mass difference and the second mass difference can be calculated. By comparing the first ratio and the second ratio, the degree to which the fractionation process is affected by the isotope mass can be determined, and then the fractionation process can be determined to be mass fractionation or non-mass fractionation. The second analysis result is displayed to the user, which is convenient for the user to understand the cause of fractionation and the pattern of isotope distribution.
[0071] In one embodiment of the present disclosure, determining the second analysis result based on the relative size of the first ratio and the second ratio includes:
[0072] A first difference between the first ratio and the second ratio is determined.
[0073] If the first difference is within the set range, the fractionation process corresponding to the isotope measurement data is determined as mass fractionation.
[0074] If the first difference exceeds a set range, the fractionation process corresponding to the isotope measurement data is determined as non-mass fractionation.
[0075] In this embodiment, if the first ratio and the second ratio are equal and the first difference is small (within the set range), it indicates that the fractionation effect and the isotope mass change in the same proportion, and the fractionation process is greatly affected by the isotope mass; conversely, if the first ratio and the second ratio differ greatly and the first difference is large (outside the set range), it indicates that the fractionation process is less affected by the isotope mass.
[0076] Still taking strontium isotopes as an example, Figure 2 As shown, the second distance PP' is twice the third distance PP", corresponding to the strontium isotope 88 Sr and 86 The first mass difference of Sr is the strontium isotope 87 Sr and86 Twice the mass difference of Sr, that is, the first ratio and the second ratio are equal, indicating the existence of mass-dependent fractionation.
[0077] Corresponding to the method for determining the accuracy of the isotope measurement results in the above embodiment, Figure 3 This is a structural block diagram of a device for determining the accuracy of isotope measurement results provided by an embodiment of the present disclosure. For ease of explanation, only the parts related to the embodiment of the present disclosure are shown. Figure 3 The isotope measurement result accuracy judgment device 20 includes: a data fitting module 21, a distance calculation module 22 and a result output module 23.
[0078] The data fitting module 21 is used to perform curve fitting on the isotope measurement data in a coordinate system to obtain a regression line; the isotope measurement data includes a plurality of data points, each of which includes a relative deviation of a first isotope ratio and a corresponding relative deviation of a second isotope ratio;
[0079] The distance calculation module 22 is used to determine a first distance between the origin of the coordinate system and the regression line.
[0080] The result output module 23 is used to determine the accuracy of the isotope measurement result based on the relative size between the first distance and the first set threshold.
[0081] In one embodiment of the present disclosure, the data fitting module 21 is specifically used for:
[0082] Draw a scatter plot in a coordinate system based on multiple data points.
[0083] Determine a regression line based on multiple centered points in a scatter plot.
[0084] In one embodiment of the present disclosure, the distance calculation module 22 is specifically used for:
[0085] Determine the first and second intersections of the regression line with the two coordinate axes of the coordinate system.
[0086] A second distance between the first intersection point and the coordinate origin, a third distance between the second intersection point and the coordinate origin, and a fourth distance between the first intersection point and the second intersection point are determined.
[0087] The first distance is calculated based on the second distance, the third distance, and the fourth distance.
[0088] In one embodiment of the present disclosure, the result output module 23 is further used to:
[0089] The isotope fractionation factor is fitted based on the first measurement data; the first measurement data is the isotope concentration data corresponding to the isotope measurement data on the regression line.
[0090] The first analysis result is determined based on the relative size of the isotope fractionation factor and the second set threshold and the third set threshold; the first analysis result is used to indicate that the fractionation process corresponding to the isotope measurement data belongs to kinetic fractionation and / or equilibrium fractionation.
[0091] In one embodiment of the present disclosure, the result output module 23 is further configured to:
[0092] The isotope fractionation factor is calculated by the first formula; the first formula is:
[0093]
[0094] in, represents the concentration ratio of isotope B to isotope A, It represents the concentration ratio of isotope C to isotope A, and the mass of isotope A, the mass of isotope B, and the mass of isotope C increase in sequence.
[0095] In one embodiment of the present disclosure, the result output module 23 is specifically used to:
[0096] A first ratio between the second distance and the third distance is determined.
[0097] A second ratio between the first mass difference and the second mass difference is determined; the first mass difference is the mass difference between the two isotopes corresponding to the first isotope ratio, and the second mass difference is the mass difference between the two isotopes corresponding to the second isotope ratio.
[0098] The second analysis result is determined based on the relative size of the first ratio and the second ratio; the second analysis result is used to indicate whether the fractionation process corresponding to the isotope measurement data belongs to mass fractionation or non-mass fractionation.
[0099] In one embodiment of the present disclosure, the result output module 23 is further configured to:
[0100] A first difference between the first ratio and the second ratio is determined.
[0101] If the first difference is within the set range, the fractionation process corresponding to the isotope measurement data is determined as mass fractionation.
[0102] If the first difference exceeds a set range, the fractionation process corresponding to the isotope measurement data is determined as non-mass fractionation.
[0103] See also Figure 4 , Figure 4 A schematic block diagram of an electronic device provided by an embodiment of the present disclosure. Figure 4The electronic device 300 in the embodiment shown may include: one or more processors 301, one or more input devices 302, one or more output devices 303 and one or more memories 304. The processors 301, input devices 302, output devices 303 and memories 304 communicate with each other via a communication bus 305. The memory 304 is used to store computer programs, which include program instructions. The processor 301 is used to execute the program instructions stored in the memory 304. The processor 301 is configured to call the program instructions to execute the functions of each module / unit in the above-mentioned device embodiments, such as Figure 3 The functions of modules 21 to 23 are shown.
[0104] It should be understood that in the embodiment of the present disclosure, the processor 301 may be a central processing unit (CPU), and the processor may also be other general-purpose processors, digital signal processors (DSP), application-specific integrated circuits (ASIC), field-programmable gate arrays (FPGA) or other programmable logic devices, discrete gate or transistor logic devices, discrete hardware components, etc. A general-purpose processor may be a microprocessor or the processor may also be any conventional processor, etc.
[0105] The input device 302 may include a touch panel, a fingerprint collection sensor (for collecting the user's fingerprint information and fingerprint direction information), a microphone, etc., and the output device 303 may include a display (LCD, etc.), a speaker, etc.
[0106] The memory 304 may include a read-only memory and a random access memory, and provide instructions and data to the processor 301. A portion of the memory 304 may also include a non-volatile random access memory. For example, the memory 304 may also store information about the device type.
[0107] In a specific implementation, the processor 301, input device 302, and output device 303 described in the embodiments of the present disclosure can execute the implementation methods described in the first and second embodiments of the method for judging the accuracy of isotope measurement results provided in the embodiments of the present disclosure, and can also execute the implementation methods of the electronic device described in the embodiments of the present disclosure, which will not be repeated here.
[0108] In another embodiment of the present disclosure, a computer-readable storage medium is provided, wherein the computer-readable storage medium stores a computer program, wherein the computer program includes program instructions, and when the program instructions are executed by the processor, all or part of the processes in the above-mentioned embodiment method are implemented, and the computer program can also be completed by instructing the relevant hardware through the computer program. The computer program can be stored in a computer-readable storage medium, and when the computer program is executed by the processor, the steps of each of the above-mentioned method embodiments can be implemented. Among them, the computer program includes computer program code, and the computer program code can be in source code form, object code form, executable file or some intermediate form, etc. The computer-readable medium can include: any entity or device capable of carrying computer program code, recording medium, U disk, mobile hard disk, magnetic disk, optical disk, computer memory, read-only memory (ROM, Read-Only Memory), random access memory (RAM, Random Access Memory), electric carrier signal, telecommunication signal and software distribution medium, etc.
[0109] The computer-readable storage medium may be an internal storage unit of the electronic device of any of the aforementioned embodiments, such as a hard disk or memory of the electronic device. The computer-readable storage medium may also be an external storage device of the electronic device, such as a plug-in hard disk, a smart memory card (Smart Media Card, SMC), a secure digital (SecureDigital, SD) card, a flash card (Flash Card), etc. equipped on the electronic device. Furthermore, the computer-readable storage medium may also include both an internal storage unit of the electronic device and an external storage device. The computer-readable storage medium is used to store computer programs and other programs and data required by the electronic device. The computer-readable storage medium may also be used to temporarily store data that has been output or is to be output.
[0110] Those of ordinary skill in the art will appreciate that the units and algorithm steps of each example described in conjunction with the embodiments disclosed herein can be implemented in electronic hardware, computer software, or a combination of the two. In order to clearly illustrate the interchangeability of hardware and software, the composition and steps of each example have been generally described in terms of function in the above description. Whether these functions are performed in hardware or software depends on the specific application and design constraints of the technical solution. Professional and technical personnel can use different methods to implement the described functions for each specific application, but such implementation should not be considered to be beyond the scope of this disclosure.
[0111] Those skilled in the art can clearly understand that, for the convenience and brevity of description, the specific working processes of the electronic devices and units described above can refer to the corresponding processes in the aforementioned method embodiments and will not be repeated here.
[0112] In the several embodiments provided in the present application, it should be understood that the disclosed electronic devices and methods can be implemented in other ways. For example, the device embodiments described above are only schematic, for example, the division of units is only a logical function division, and there may be other division methods in actual implementation, such as multiple units or components can be combined or integrated into another system, or some features can be ignored or not executed. In addition, the mutual coupling or direct coupling or communication connection shown or discussed can be an indirect coupling or communication connection through some interfaces or units, or it can be an electrical, mechanical or other form of connection.
[0113] The units described as separate components may or may not be physically separated, and the components shown as units may or may not be physical units, that is, they may be located in one place or distributed on multiple network units. Some or all of the units may be selected according to actual needs to achieve the purpose of the embodiments of the present disclosure.
[0114] In addition, each functional unit in each embodiment of the present disclosure may be integrated into one processing unit, or each unit may exist physically separately, or two or more units may be integrated into one unit. The above-mentioned integrated unit may be implemented in the form of hardware or in the form of software functional units.
[0115] The above are only specific embodiments of the present disclosure, but the protection scope of the present disclosure is not limited thereto. Any technician familiar with the technical field can easily think of various equivalent modifications or replacements within the technical scope disclosed in the present disclosure, and these modifications or replacements should be included in the protection scope of the present disclosure. Therefore, the protection scope of the present disclosure should be based on the protection scope of the claims.
Claims
1. A method for determining the accuracy of isotope measurement results, characterized in that: include: The isotope measurement data are curve-fitted in a coordinate system to obtain a regression line; the isotope measurement data include a plurality of data points, each of which includes a relative deviation of a first isotope ratio and a relative deviation of a corresponding second isotope ratio; wherein the relative deviation of the isotope ratio refers to a difference between a ratio of two stable isotope concentrations of the test sample and a ratio of the two stable isotope concentrations in the standard substance, divided by the ratio of the standard substance, and then multiplied by 1000, expressed in ‰; Determine a first distance between the origin of the coordinate system and the regression line; the first distance is a vertical distance between the origin of the coordinate system and the regression line; Judging the accuracy of the isotope measurement result based on the relative size of the first distance and a first set threshold; The step of performing curve fitting on the isotope measurement data in the coordinate system to obtain a regression line comprises: Drawing a scatter plot in a coordinate system based on a plurality of the data points; The regression line is determined based on a plurality of center points in the scatter plot.
2. The method for determining the accuracy of isotope measurement results according to claim 1, wherein: The determining of a first distance between the coordinate origin of the coordinate system and the regression line comprises: Determine a first intersection point and a second intersection point of the regression line with two coordinate axes in the coordinate system; Determine a second distance between the first intersection and the coordinate origin, a third distance between the second intersection and the coordinate origin, and a fourth distance between the first intersection and the second intersection; The first distance is calculated based on the second distance, the third distance, and the fourth distance.
3. The method for determining the accuracy of isotope measurement results according to claim 1, wherein: Also includes: Fitting an isotope fractionation factor based on first measurement data; the first measurement data is isotope concentration data corresponding to the isotope measurement data on the regression line; Determining a first analysis result based on the relative size of the isotope fractionation factor and the second set threshold value and the third set threshold value; the first analysis result is used to indicate that the fractionation process corresponding to the isotope measurement data belongs to kinetic fractionation and / or equilibrium fractionation; The fitting of the isotope fractionation factor based on the first measurement data comprises: The isotope fractionation factor is calculated by a first formula; the first formula is: in, represents the concentration ratio of isotope B to isotope A, It represents the concentration ratio of isotope C to isotope A, and the mass of isotope A, the mass of isotope B, and the mass of isotope C increase in sequence.
4. The method for determining the accuracy of isotope measurement results according to claim 2, wherein: Also includes: determining a first ratio between the second distance and the third distance; determining a second ratio between the first mass difference value and the second mass difference value; The first mass difference is the mass difference between the two isotopes corresponding to the first isotope ratio, and the second mass difference is the mass difference between the two isotopes corresponding to the second isotope ratio; determining a second analysis result based on the relative magnitude of the first ratio and the second ratio; The second analysis result is used to indicate whether the fractionation process corresponding to the isotope measurement data belongs to mass fractionation or non-mass fractionation.
5. The method for determining the accuracy of isotope measurement results according to claim 4, characterized in that: The determining of the second analysis result based on the relative size of the first ratio and the second ratio comprises: determining a first difference between the first ratio and the second ratio; If the first difference is within a set range, determining the fractionation process corresponding to the isotope measurement data as mass fractionation; If the first difference exceeds a set range, the fractionation process corresponding to the isotope measurement data is determined as non-mass fractionation.
6. A device for determining the accuracy of isotope measurement results, characterized in that: include: A data fitting module is used to perform curve fitting on the isotope measurement data in a coordinate system to obtain a regression line; the isotope measurement data includes a plurality of data points, each of which includes a relative deviation of a first isotope ratio and a relative deviation of a corresponding second isotope ratio; wherein the relative deviation of the isotope ratio refers to a difference between a ratio of two stable isotope concentrations of the test sample and a ratio of the two stable isotope concentrations in the standard substance, divided by the ratio of the standard substance, and then multiplied by 1000, expressed in ‰; A distance calculation module, used to determine a first distance between the origin of the coordinate system and the regression line; the first distance is a vertical distance between the origin of the coordinate system and the regression line; A result output module, used to judge the accuracy of the isotope measurement result based on the relative size of the first distance and a first set threshold; The data fitting module is specifically used for: Drawing a scatter plot in a coordinate system based on a plurality of the data points; The regression line is determined based on a plurality of center points in the scatter plot.
7. An electronic device comprising a memory, a processor, and a computer program stored in the memory and running on the processor, characterized in that: When the processor executes the computer program, the steps of the method according to any one of claims 1 to 5 are implemented.
8. A computer-readable storage medium storing a computer program, characterized in that: When the computer program is executed by a processor, the steps of the method according to any one of claims 1 to 5 are implemented.
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