A chelating agent quality and safety detection data analysis method and system

Abstract

The invention discloses a chelating agent quality safety detection data analysis method and system, which relate to the technical field of chelating agent quality detection, and comprise the following steps: extracting components and performing quality testing on the chelating agent to obtain basic indicators of the chelating agent; analyzing and calculating quality indexes of different basic indicators; analyzing and calculating correlation coefficients between different basic indicators and the chelating ability of the chelating agent; analyzing and calculating the quality index of the chelating agent based on the quality index and the correlation coefficient; and evaluating the quality of the chelating agent by the quality index. The invention is used to solve the problem that the existing chelating agent quality detection technology still has strong subjectivity and the analysis of the chelating agent quality evaluation is not comprehensive enough, which leads to the problem that the quality detection result of the chelating agent is prone to errors.

Description

Technical Field

[0001] The invention relates to the technical field of chelating agent quality detection, and in particular to a chelating agent quality safety detection data analysis method and system. Background Art

[0002] Chelating agent quality testing technology refers to the technology and methods used to evaluate and test the quality of chelating agent products. Chelating agent is a compound that can form a stable complex with metal ions and is often used in chemical processes such as stabilization, separation and extraction of metal ions.

[0003] The existing chelating agent quality detection technology usually mostly evaluates the quality of the chelating agent based on the manually calibrated threshold value, which is too subjective. The quality of the chelating agent is determined by many factors. Different factors play different roles in the quality assessment. How to balance the weights between them is the top priority. The existing chelating agent quality detection technology does not consider the factors affecting the quality of the chelating agent comprehensively, and the weights between different factors are not reasonably balanced. For example, in the patent application with the publication number CN108982752A, a quality detection method for fly ash solidification chelating agent based on environmental changes is disclosed. The scheme is to evaluate the quality of the chelating agent by the pH value of the chelating agent, the specific gravity of the chelating agent and the chelating ability of the chelating agent for iron and calcium as a reference. This method considers too few factors and does not balance the weights between different factors, resulting in errors in the quality detection results of the chelating agent. The existing chelating agent quality detection technology also has the problem of strong subjectivity and insufficient analysis of the quality assessment of the chelating agent, resulting in errors in the quality detection results of the chelating agent. Summary of the invention

[0004] The present invention aims to solve one of the technical problems in the prior art to at least a certain extent, by extracting the components of the chelating agent and performing a quality test on the quality of the chelating agent to obtain the basic indicators of the chelating agent, then analyzing and calculating the quality index of different basic indicators through normalization technology, then analyzing and calculating the correlation coefficient between the different basic indicators and the chelating ability of the chelating agent, then analyzing and calculating the quality index of the chelating agent based on the quality index and the correlation coefficient, and finally evaluating the quality of the chelating agent through the quality index, so as to solve the problem that the existing chelating agent quality detection technology is still highly subjective and the analysis of the chelating agent quality evaluation is not comprehensive enough, resulting in the problem that the quality detection result of the chelating agent is prone to errors.

[0005] To achieve the above objectives, in a first aspect, the present application provides a chelating agent quality and safety detection data analysis method, comprising the following steps:

[0006] Extract ingredients and conduct quality tests on chelating agents to obtain basic indicators of chelating agents;

[0007] Analyze and calculate the quality index of different basic indicators;

[0008] Analyze and calculate the correlation coefficients between different basic indicators and the chelating capacity of the chelating agent;

[0009] Calculate the quality index of the chelating agent based on the quality index and correlation coefficient analysis;

[0010] The quality of chelating agents was evaluated by quality index.

[0011] Furthermore, extracting the components of the chelating agent and conducting quality tests to obtain the basic indicators of the chelating agent include the following sub-steps:

[0012] The basic indicators include main component content, impurity content, mixture stability and chelating ability;

[0013] The main components include ethylenediaminetetraacetic acid and diethylenetriaminepentaacetic acid, which are represented by the symbols EDTA and DTPA respectively;

[0014] The impurity content includes the content of heavy metals and harmful substances, and the impurity content is the sum of the content of heavy metals and harmful substances;

[0015] Test EDTA and DTPA in chelating agents by titration;

[0016] The impurity content in the chelating agent is detected by atomic absorption spectroscopy and represented by the symbol IC;

[0017] The chelating ability of the chelating agent was tested by metal ion titration curve analysis and represented by the symbol CA;

[0018] The chelating agent is subjected to a stability test to detect the stability of the chelating agent mixture.

[0019] Furthermore, the stability test includes the following sub-steps:

[0020] Preset a first temperature, a second temperature, a third temperature, a first pH value, a second pH value, and a third pH value;

[0021] Setting a temperature decomposition test group and a PH decomposition test group, wherein the PH environment of the temperature decomposition test group is fixed to a second PH value, and the temperature environment of the PH decomposition test group is fixed to a second temperature;

[0022] A first number of temperature test groups are set in the temperature decomposition test group, and the temperature test groups are marked by T n Indicates, where n is a non-zero natural number and n is the serial number of T, a first number of PH test groups are set in the PH decomposition test group, and the symbol P ｎ express;

[0023] The first number is denoted as N1, T1 to T N1 The corresponding temperature environments are the first temperature, the second temperature and the third temperature in sequence; P1 to P N1 The corresponding pH environments are the first pH value, the second pH value, and the third pH value;

[0024] By T n Test the decomposition rate of the chelating agent and mark the decomposition rate obtained by the test as RT n , through P n Test the decomposition rate of the chelating agent and mark the decomposition rate obtained by the test as RP n ;

[0025] With ambient temperature as the X-axis, RT n A rectangular coordinate system is established for the Y axis, named as the temperature stability evaluation chart, with the ambient pH value as the X axis, RP ｎ Establish a plane rectangular coordinate system for the Y axis, named PH stability evaluation diagram, and convert RT n Enter the temperature stability evaluation chart according to the corresponding ambient temperature, and set RP ｎ Enter the corresponding environmental pH value into the pH stability assessment chart;

[0026] Perform linear regression on the temperature stability evaluation graph and the pH stability evaluation graph to obtain the slope of the regression function, which are marked as temperature stability and pH stability, respectively. Calculate the reciprocal of the average values ​​of temperature stability and pH stability to obtain the final stability evaluation value of the chelating agent, which is marked as mixture stability and represented by the symbol STM.

[0027] Furthermore, analyzing and calculating the quality index of different basic indicators includes the following sub-steps:

[0028] Obtain historical basic indicators, mark them as historical indicators, and name the main component content, impurity content, mixture stability and chelating ability in the historical indicators as main component historical content, impurity historical content, mixture historical stability and chelating ability respectively;

[0029] For the historical content of EDTA in the main components, obtain the minimum and maximum values, and mark them as EDTA respectively. min EDTA max , for the DTPA in the historical content of the main component, obtain the minimum and maximum values, marked as DTPA min and DTPA max ;

[0030] For the historical impurity content, obtain the minimum and maximum values, and mark them as IC min IC max;

[0031] For the historical stability of the mixture, obtain the minimum and maximum values, marked as STM respectively min and STM max ;

[0032] For the chelation history capacity, obtain the minimum and maximum values, marked as CA respectively. min and CA max ;

[0033] The acquired data are normalized to obtain the quality index of different basic indicators.

[0034] Furthermore, normalizing the acquired data to obtain the quality index of different basic indicators includes the following sub-steps:

[0035] Mark the obtained EDTA, DTPA, IC, STM and CA as X, and min , DTPA min 、IC min 、STM min and CA min Marked with X min , the corresponding EDTA max DTPA max 、IC max 、STM max and CA max Marked with X max ;

[0036] By normalizing the formula Calculate the quality index of different basic indicators, where is the quality index, which includes , , , as well as .

[0037] Furthermore, analyzing and calculating the correlation coefficients between different basic indicators and the chelating ability of the chelating agent includes the following sub-steps:

[0038] A second number of historical indicators are randomly selected, and the historical content of the main component, the historical content of the impurity, and the historical stability of the mixture are named as the relevant indicators;

[0039] For any relevant indicator, the relevant indicator is numbered and represented by the symbol Y i Indicates, where i is the second number; the chelation history capacity is numbered, and the symbol CH i express;

[0040] Through the correlation coefficient formula Calculate the correlation coefficients of different related indicators, where K is the correlation coefficient, Y i The average value of CH i The average value of; K includes K1, K2, K3 and K4, wherein K1 is the correlation coefficient of EDTA, K2 is the correlation coefficient of DTPA, K3 is the correlation coefficient of IC, and K4 is the correlation coefficient of STM.

[0041] Further, the quality index of the chelating agent is calculated based on the quality index and the correlation coefficient analysis, including the following sub-steps:

[0042] The quality index and the correlation coefficient are calculated by the quality index calculation formula to obtain the quality index of the chelating agent;

[0043] The quality index calculation formula is configured as: , where R is the quality index.

[0044] Furthermore, evaluating the quality of the chelating agent by the quality index includes the following sub-steps:

[0045] Obtain the quality index of the chelating agent produced in a uniform batch, marked as the batch index;

[0046] Count the number of indices in different batches, marked as index number;

[0047] A plane rectangular coordinate system is established with the batch index as the horizontal axis and the index quantity as the vertical axis, named as the quality grading diagram, and the batch index and the corresponding index quantity are entered into the quality grading diagram;

[0048] Perform polynomial regression analysis on the quality grading diagram to obtain a regression curve, which is marked as the quality grading curve;

[0049] The quality classification curves were analyzed, the classification thresholds were extracted and the quality of the chelating agents was evaluated.

[0050] Furthermore, analyzing the quality classification curve, extracting the classification threshold and evaluating the quality of the chelating agent include the following sub-steps:

[0051] Mark the left and right endpoints of the quality grading curve as valley points and apexes;

[0052] A moving point is set on the quality classification curve, marked as a moving point;

[0053] Connect the moving point with the valley point, and connect the moving point with the vertex at the same time, and mark the angle formed by the two connecting lines as the first reference angle;

[0054] The moving point is moved, the first reference angle is continuously recorded, the minimum value of the first reference angle is obtained, and the minimum value is marked as a medium-high quality point, and the value of the horizontal axis corresponding to the medium-high quality point is marked as a medium-high quality threshold;

[0055] Connect the moving point with the medium-high quality point and cancel the connection with the vertex. The angle between the two connecting lines is marked as the second reference angle.

[0056] Continue to move the moving point, record the second reference angle, obtain the minimum value of the second reference angle, mark it as a medium-low quality point, and mark the value of the horizontal axis corresponding to the medium-low quality point as a medium-low quality threshold;

[0057] The quality index is obtained, and the quality index is compared with the medium-low quality threshold and the medium-high quality threshold. If the quality index is less than or equal to the medium-low quality threshold, an unqualified quality signal is output; if the quality index is greater than the medium-low quality threshold and less than or equal to the medium-high quality threshold, a qualified quality signal is output; if the quality index is greater than the medium-high quality threshold, a high quality signal is output.

[0058] In a second aspect, the present application provides a chelating agent quality and safety detection data analysis system, including an index extraction module, a quality index calculation module, a correlation coefficient calculation module, a quality index calculation module and a quality evaluation module; the index extraction module, the quality index calculation module, the correlation coefficient calculation module and the quality evaluation module are respectively connected to the quality index calculation module data;

[0059] The index extraction module is used to extract components and perform quality tests on the chelating agent to obtain basic indicators of the chelating agent;

[0060] The quality index calculation module is used to analyze and calculate the quality indexes of different basic indicators;

[0061] The correlation coefficient calculation module is used to analyze and calculate the correlation coefficients between different basic indicators and the chelating ability of the chelating agent;

[0062] The quality index calculation module is used to calculate the quality index of the chelating agent based on the quality index and the correlation coefficient analysis;

[0063] The quality evaluation module is used to evaluate the quality of the chelating agent through a quality index.

[0064] The beneficial effects of the present invention are as follows: the present invention extracts the components of the chelating agent and performs a quality test to obtain the basic indicators of the chelating agent, and then analyzes and calculates the quality index of different basic indicators through normalization technology. The advantage is that the quality of the chelating agent is evaluated from multiple aspects such as components, impurities, stability and chelating ability. At the same time, the basic indicators of different dimensions are converted into standardized data through the quality index, which is convenient for subsequent analysis and improves the accuracy and comprehensiveness of the quality detection of the chelating agent.

[0065] The present invention analyzes and calculates the correlation coefficients between different basic indicators and the chelating ability of the chelating agent, then analyzes and calculates the quality index of the chelating agent based on the quality index and the correlation coefficient, and finally evaluates the quality of the chelating agent through the quality index. The advantage of the present invention is that the influence of different basic indicators on the quality of the chelating agent is balanced by analyzing the correlation coefficient, so as to more accurately evaluate the quality of the chelating agent. At the same time, when performing the evaluation, all thresholds are obtained through analysis, eliminating the influence of subjective factors, making the evaluation result more objective and accurate, and improving the accuracy and objectivity of the chelating agent quality detection. BRIEF DESCRIPTION OF THE DRAWINGS

[0066] Figure 1 is a functional block diagram of the system of the present invention;

[0067] Figure 2 It is the temperature stability evaluation diagram of the present invention;

[0068] Figure 3 It is the pH stability evaluation diagram of the present invention;

[0069] Figure 4 is the quality classification diagram of the present invention;

[0070] Figure 5 is a schematic diagram of a first reference angle of the present invention;

[0071] Figure 6 The figure is a flow chart of the steps of the method of the present invention. DETAILED DESCRIPTION

[0072] The following will be combined with the drawings in the embodiments of the present invention to clearly and completely describe the technical solutions in the embodiments of the present invention. Obviously, the described embodiments are only part of the embodiments of the present invention, not all of the embodiments. Based on the embodiments of the present invention, all other embodiments obtained by ordinary technicians in this field without creative work are within the scope of protection of the present invention.

[0073] Example 1, please refer to Figure 1As shown, the present application provides a chelating agent quality safety detection data analysis system, including an index extraction module, a quality index calculation module, a correlation coefficient calculation module, a quality index calculation module and a quality evaluation module; the index extraction module, the quality index calculation module, the correlation coefficient calculation module and the quality evaluation module are respectively connected to the quality index calculation module data;

[0074] The index extraction module is used to extract the components and perform quality tests on the chelating agent to obtain the basic indexes of the chelating agent; the index extraction module includes a basic parameter extraction unit and a stability testing unit;

[0075] The basic parameter extraction unit is configured with a basic parameter extraction strategy, which includes:

[0076] Basic indicators include main ingredient content, impurity content, mixture stability and chelating capacity;

[0077] The main components include ethylenediaminetetraacetic acid and diethylenetriaminepentaacetic acid, which are represented by the symbols EDTA and DTPA respectively;

[0078] The impurity content includes the content of heavy metals and harmful substances, and the impurity content is the sum of the content of heavy metals and harmful substances;

[0079] Test EDTA and DTPA in chelating agents by titration;

[0080] The impurity content in the chelating agent is detected by atomic absorption spectroscopy and represented by the symbol IC;

[0081] The chelating ability of the chelating agent was tested by metal ion titration curve analysis and represented by the symbol CA;

[0082] In practical applications, the main components of different chelating agents are different, that is, EDTA and DTPA are two common different chelating agents. In actual detection, the main components are extracted based on the actual components of the chelating agent. The main component of the chelating agent used in this embodiment is EDTA, so only EDTA needs to be extracted. The EDTA extracted by the existing titration method is 96.3%, and the impurity content IC is 0.62%. In this embodiment, the typical iron chelation is used as a reference when testing the chelating ability. The chelating ability CA of the chelating agent is 126 mg Fe by the existing titration curve analysis method. 3+ / g; It is worth noting that since the main component of the chelating agent in this embodiment is EDTA, only EDTA is considered in the subsequent analysis, and DTPA is not considered. In the final quality index calculation formula, although there are two parameters at the same time, the quality index is in an additive form, in which the DTPA content is 0%, so it does not affect the calculation of the final quality index. All the main components are added to the quality index calculation formula to improve the scheme, and they can be changed according to the main components when used specifically;

[0083] The stability testing unit is used to perform stability testing on the chelating agent and detect the stability of the chelating agent mixture;

[0084] The stability test unit is configured with a stability test strategy, which includes:

[0085] Preset a first temperature, a second temperature, a third temperature, a first pH value, a second pH value, and a third pH value;

[0086] In practical applications, the first temperature, the second temperature, the third temperature, the first pH value, the second pH value and the third pH value are preset to detect the decomposition rate of the chelating agent under low temperature, suitable temperature, high temperature, acidic, neutral and alkaline environments, so as to observe the change of its decomposition rate. The smaller the change range, the higher its stability, and the larger the change range, the lower its stability. The suitable temperature of the chelating agent in this embodiment is 20°C, so the second temperature is set to 20°C, and the low temperature and high temperature settings differ from the suitable temperature by 10°C, so the first temperature is set to 10°C, the third temperature is set to 30°C, the first pH value is set to 5, the second pH value is set to 7, and the third pH value is set to 9;

[0087] Setting a temperature decomposition test group and a PH decomposition test group, wherein the PH environment of the temperature decomposition test group is fixed to a second PH value, and the temperature environment of the PH decomposition test group is fixed to a second temperature;

[0088] A first number of temperature test groups are set in the temperature decomposition test group, and the temperature test groups are marked by T n Indicates, where n is a non-zero natural number and n is the serial number of T, a first number of PH test groups are set in the PH decomposition test group, and the symbol P ｎ express;

[0089] The first number is denoted as N1, T1 to T N1 The corresponding temperature environments are the first temperature, the second temperature and the third temperature in sequence; P1 to P N1 The corresponding pH environments are the first pH value, the second pH value, and the third pH value;

[0090] In practical applications, the first number N1 is 3, and T1 to T3 and P1 to P3 are constructed, that is, the ambient temperatures of T1 to T3 are 10° C., 20° C., and 30° C., respectively, and the ambient pH values ​​of P1 to P3 are 5, 7, and 9, respectively;

[0091] By T n Test the decomposition rate of the chelating agent and mark the decomposition rate obtained by the test as RT n , through P n Test the decomposition rate of the chelating agent and mark the decomposition rate obtained by the test as RP n ;

[0092] See also Figures 2 to 3 As shown, the ambient temperature is the X-axis, RT n A rectangular coordinate system is established for the Y axis, named as the temperature stability evaluation chart, with the ambient pH value as the X axis, RP ｎ Establish a plane rectangular coordinate system for the Y axis, named PH stability evaluation diagram, and convert RT n Enter the temperature stability evaluation chart according to the corresponding ambient temperature, and set RP ｎ Enter the corresponding environmental pH value into the pH stability assessment chart;

[0093] Perform linear regression on the temperature stability evaluation graph and the pH stability evaluation graph to obtain the slopes of the regression functions, which are marked as temperature stability and pH stability, respectively. Calculate the reciprocals of the average values ​​of the temperature stability and the pH stability to obtain the final stability evaluation value of the chelating agent, which is marked as mixture stability and represented by the symbol STM.

[0094] In practical applications, the decomposition rate is actually the half-life. Through the T1 to T3 test, RT1 to RT3 are 93 days, 86 days and 65 days respectively. Through the P1 to P3 test, RP1 to RP3 are 358 days, 176 days and 32 days respectively. The temperature stability evaluation diagram and the pH stability evaluation diagram are constructed as shown in Figure 2 as well as Figure 3 As shown, the slopes of the regression functions obtained by linear regression are -1.4 and -81.5 respectively. Since the slope represents the variation of the half-life of the chelating agent under different environmental factors, the absolute value needs to be taken when it is used as stability, and the temperature stability and pH stability are 1.4 and 81.5 respectively. The calculated average value is 42.15. The smaller the average value here, the more stable the chelating agent is, and the larger the average value, the more unstable the chelating agent is. In terms of meaning, the greater the stability of the mixture, the higher the stability of the chelating agent, which conflicts with the average value. Therefore, the inverse of the calculated average value is usually used as the stability of the mixture, that is, the mixture stability STM is 1 / 42.15.

[0095] The quality index calculation module is used to analyze and calculate the quality index of different basic indicators; the quality index calculation module includes a historical data extraction unit and a quality index calculation unit;

[0096] The historical data extraction unit is configured with a historical data extraction strategy, which includes:

[0097] Obtain historical basic indicators, mark them as historical indicators, and name the main component content, impurity content, mixture stability and chelating ability in the historical indicators as main component historical content, impurity historical content, mixture historical stability and chelating ability respectively;

[0098] For the historical content of EDTA in the main components, obtain the minimum and maximum values, and mark them as EDTA respectively. min EDTA max , for the DTPA in the historical content of the main component, obtain the minimum and maximum values, marked as DTPA min and DTPA max ;

[0099] For the historical impurity content, obtain the minimum and maximum values, and mark them as IC min IC max ;

[0100] For the historical stability of the mixture, obtain the minimum and maximum values, marked as STM respectively min and STM max ;

[0101] For the chelation history capacity, obtain the minimum and maximum values, marked as CA respectively. min and CA max ;

[0102] In practical applications, since the main component of the chelating agent in this embodiment is EDTA, only EDTA needs to be obtained. min EDTA max No need to obtain relevant data of DTPA, just obtain EDTA min EDTA max 63% and 98% respectively, IC min IC max They are 0.21% and 1.26% respectively, STM min and STM max 1 / 126.5 and 1 / 26.25 respectively, CA min and CA max 72mg Fe 3+ / g and 158mg Fe 3+ / g;

[0103] The quality index calculation unit is used to normalize the acquired data to obtain the quality index of different basic indicators;

[0104] The quality index calculation unit is configured with a quality index calculation strategy, which includes:

[0105] Mark the obtained EDTA, DTPA, IC, STM and CA as X, and min , DTPA min 、IC min 、STM min and CA min Marked with X min , the corresponding EDTA max DTPA max 、IC max 、STM max and CA max Marked with X max ;

[0106] By normalizing the formula Calculate the quality index of different basic indicators, where is the quality index, which includes , , , as well as ;

[0107] In practical applications, since the calculation process is the same, this embodiment only uses The calculation process of is taken as an example to illustrate, and the other quality indexes refer to The calculation process is as follows; when X is EDTA, X=EDTA=96.3%, X min =EDTA min =63%,X max =EDTA max =98%, calculated =0.9514, the result is rounded to four decimal places, and the result is calculated in the same way , as well as They are 0.3905, 0.5240 and 0.6279 respectively;

[0108] The correlation coefficient calculation module is used to analyze and calculate the correlation coefficients between different basic indicators and the chelating ability of the chelating agent;

[0109] The correlation coefficient calculation module is configured with a correlation coefficient calculation strategy, which includes:

[0110] A second number of historical indicators are randomly selected, and the historical content of the main component, the historical content of the impurity, and the historical stability of the mixture are named as the relevant indicators;

[0111] For any relevant indicator, the relevant indicator is numbered and represented by the symbol Y i Indicates, where i is the second number; the chelation history capacity is numbered, and the symbol CH i express;

[0112] Through the correlation coefficient formula Calculate the correlation coefficients of different related indicators, where K is the correlation coefficient, Y i The average value of CH i The average value of; K includes K1, K2, K3 and K4, wherein K1 is the correlation coefficient of EDTA, K2 is the correlation coefficient of DTPA, K3 is the correlation coefficient of IC, and K4 is the correlation coefficient of STM;

[0113] In practical applications, in order to ensure that the number of samples for each historical indicator is the same, the same number of samples are extracted from the historical indicators by randomly selecting a second number. In this embodiment, the second number i is set to 1000. Due to the large amount of data, it is no longer specifically displayed in this embodiment, and only the final calculation result is given to facilitate subsequent calculations. In this embodiment, by substituting the relevant indicators into the correlation coefficient formula, K1, K2, K3 and K4 are calculated to be 0.82, 0, 0.63 and 0.58 respectively. Since the main component in this embodiment is EDTA, not DTPA, the correlation coefficient of DTPA does not exist and is set to 0.

[0114] The quality index calculation module is used to calculate the quality index of the chelating agent based on the quality index and the correlation coefficient analysis;

[0115] The quality index calculation module is configured with a quality index calculation strategy, which includes:

[0116] The quality index and the correlation coefficient are calculated by the quality index calculation formula to obtain the quality index of the chelating agent;

[0117] The quality index calculation formula is configured as: , where R is the quality index;

[0118] In practical applications, K1, K2, K3 and K4 are 0.82, 0, 0.63 and 0.58 respectively. , , as well as They are 0.9514, 0.3905, 0.5240 and 0.6279 respectively. Substituting them into the calculation, the quality index of the chelating agent in this embodiment is 1.9580, and the calculation result is rounded to four decimal places.

[0119] The quality assessment module is used to assess the quality of the chelating agent through a quality index; the quality assessment module includes a grading curve construction unit and a grading threshold extraction unit;

[0120] The grading curve construction unit is configured with a grading curve construction strategy, which includes:

[0121] Obtain the quality index of the chelating agent produced in a uniform batch, marked as the batch index;

[0122] Count the number of indices in different batches, marked as index number;

[0123] See also Figure 4 As shown, a plane rectangular coordinate system is established with batch index as the horizontal axis and index quantity as the vertical axis, named as quality grading diagram, and the batch index and the corresponding index quantity are entered into the quality grading diagram;

[0124] Perform polynomial regression analysis on the quality grading diagram to obtain a regression curve, which is marked as the quality grading curve;

[0125] In practical applications, the quality grading curve is constructed and regressed as follows: Figure 4 As shown;

[0126] The classification threshold extraction unit is used to analyze the quality classification curve, extract the classification threshold and evaluate the quality of the chelating agent;

[0127] The classification threshold extraction unit is configured with a classification threshold extraction strategy, and the classification threshold extraction strategy includes:

[0128] See also Figure 5 As shown, the left end point and the right end point of the quality grading curve are marked as the valley point and the vertex;

[0129] A moving point is set on the quality classification curve, marked as a moving point;

[0130] Connect the moving point with the valley point, and connect the moving point with the vertex at the same time, and mark the angle formed by the two connecting lines as the first reference angle;

[0131] The moving point is moved, the first reference angle is continuously recorded, the minimum value of the first reference angle is obtained, and the minimum value is marked as a medium-high quality point, and the value of the horizontal axis corresponding to the medium-high quality point is marked as a medium-high quality threshold;

[0132] In practical applications, the first reference angle is obtained by connecting Figure 5As shown, the first reference angle reflects the change range of the batch index at the coordinate point where the first reference angle is located. Usually, when manufacturers produce chelating agents, if there are no errors in process problems, equipment problems or environmental problems during the production process, most of the chelating agents produced are high-quality chelating agents. There is a very obvious critical point between high quality and qualified products. At this critical point, the quantity changes greatly, and it is necessary to combine the change range before and after for reference. For example, in the interval where the batch index of high-quality chelating agents is located, although there are also large changes, their quantities are all above a certain amount. The critical point is to find the point in the quality grading curve from less to more and the change range from slow to fast. Therefore, the first reference angle is used for searching. The smaller the first reference angle is, the greater the difference in the number of indicators before and after the coordinate point where the first reference angle is located. The change range of the entire quality grading curve here changes from slow to fast, that is, the medium-high quality point, which is used to distinguish medium-high quality, and the judgment of medium-low quality thresholds is the same; the minimum value of the first reference angle obtained by searching is 146°, that is, Figure 5 The points shown in the figure are medium-high quality points, and the medium-high quality threshold is 1.64;

[0133] Connect the moving point with the medium-high quality point and cancel the connection with the vertex. The angle between the two connecting lines is marked as the second reference angle.

[0134] Continue to move the moving point, record the second reference angle, obtain the minimum value of the second reference angle, mark it as a medium-low quality point, and mark the value of the horizontal axis corresponding to the medium-low quality point as a medium-low quality threshold;

[0135] Obtain a quality index, compare the quality index with a medium-low quality threshold and a medium-high quality threshold, and if the quality index is less than or equal to the medium-low quality threshold, output a quality-unqualified signal; if the quality index is greater than the medium-low quality threshold and less than or equal to the medium-high quality threshold, output a quality-qualified signal; if the quality index is greater than the medium-high quality threshold, output a high-quality signal;

[0136] In practical applications, the search process for medium-low quality points is the same as that for medium-high quality points, so it is not elaborated in detail in this embodiment. Only the final medium-low quality threshold is given. The medium-low quality threshold is 1.16 through analysis. The quality index of the chelating agent in this embodiment is 1.9580. When the quality index is greater than the medium-high quality threshold through comparison, a high-quality signal is output, indicating that the quality of the chelating agent is high quality.

[0137] Example 2, please refer to Figure 6 As shown, the present application provides a chelating agent quality and safety detection data analysis method, comprising the following steps:

[0138] Step S1, extracting components of the chelating agent and conducting quality testing to obtain basic indicators of the chelating agent; Step S1 includes the following sub-steps:

[0139] Step S101, basic indicators include main component content, impurity content, mixture stability and chelating ability;

[0140] Step S102, the main components include ethylenediaminetetraacetic acid and diethylenetriaminepentaacetic acid, which are represented by symbols EDTA and DTPA respectively;

[0141] Step S103, the impurity content includes the content of heavy metals and harmful substances, and the impurity content is the sum of the content of heavy metals and harmful substances;

[0142] Step S104, testing EDTA and DTPA in the chelating agent by titration;

[0143] Step S105, detecting the impurity content in the chelating agent by atomic absorption spectroscopy, represented by symbol IC;

[0144] Step S106, testing the chelating ability of the chelating agent by metal ion titration curve analysis, represented by symbol CA;

[0145] Step S107, performing a stability test on the chelating agent to detect the stability of the chelating agent mixture;

[0146] Step S107 includes the following sub-steps:

[0147] Step S1071, presetting a first temperature, a second temperature, a third temperature, a first pH value, a second pH value, and a third pH value;

[0148] Step S1072, setting a temperature decomposition test group and a PH decomposition test group, wherein the PH environment of the temperature decomposition test group is fixed to a second PH value, and the temperature environment of the PH decomposition test group is fixed to a second temperature;

[0149] Step S1073, setting a first number of temperature test groups in the temperature decomposition test group, represented by symbol T n Indicates, where n is a non-zero natural number and n is the serial number of T, a first number of PH test groups are set in the PH decomposition test group, and the symbol P ｎ express;

[0150] Step S1074, the first number is expressed as N1, T1 to T N1 The corresponding temperature environments are the first temperature, the second temperature and the third temperature in sequence; P1 to P N1 The corresponding pH environments are the first pH value, the second pH value, and the third pH value;

[0151] Step S1075, through T n Test the decomposition rate of the chelating agent and mark the decomposition rate obtained by the test as RT n , through P n Test the decomposition rate of the chelating agent and mark the decomposition rate obtained by the test as RP n ;

[0152] Step S1076, taking the ambient temperature as the X-axis, RT n A rectangular coordinate system is established for the Y axis, named as the temperature stability evaluation chart, with the ambient pH value as the X axis, RP ｎ Establish a plane rectangular coordinate system for the Y axis, named PH stability evaluation diagram, and convert RT n Enter the temperature stability evaluation chart according to the corresponding ambient temperature, and set RP ｎ Enter the corresponding environmental pH value into the pH stability assessment chart;

[0153] Step S1077, performing linear regression on the temperature stability evaluation graph and the pH stability evaluation graph, obtaining the slopes of the regression functions, marking them as temperature stability and pH stability, respectively, calculating the reciprocals of the average values ​​of the temperature stability and the pH stability, obtaining the final stability evaluation value of the chelating agent, marking it as mixture stability, and representing it by the symbol STM;

[0154] Step S2, analyzing and calculating the quality index of different basic indicators; Step S2 includes the following sub-steps:

[0155] Step S201, obtaining historical basic indicators, marking them as historical indicators, and naming the main component content, impurity content, mixture stability and chelating ability in the historical indicators as main component historical content, impurity historical content, mixture historical stability and chelating ability respectively;

[0156] Step S202, for the historical content of EDTA in the main component, obtain the minimum value and the maximum value thereof, and mark them as EDTA min EDTA max , for the DTPA in the historical content of the main component, obtain the minimum and maximum values, marked as DTPA min and DTPA max ;

[0157] Step S203, for the historical impurity content, obtain the minimum value and the maximum value, which are marked as IC min IC max ;

[0158] Step S204, for the historical stability of the mixture, obtain the minimum value and the maximum value, which are marked as STM respectively.min and STM max ;

[0159] Step S205, for the chelation history capacity, obtain the minimum value and the maximum value, which are marked as CA and min and CA max ;

[0160] Step S206, normalizing the acquired data to obtain quality indexes of different basic indicators;

[0161] Step S206 includes the following sub-steps:

[0162] Step S2061: Mark the obtained EDTA, DTPA, IC, STM and CA as X, and min DTPA min 、IC min 、STM min and CA min Marked with X min , the corresponding EDTA max DTPA max 、IC max 、STM max and CA max Marked with X max ;

[0163] Step S2062, by normalization formula Calculate the quality index of different basic indicators, where is the quality index, which includes , , , as well as ;

[0164] Step S3, analyzing and calculating the correlation coefficients between different basic indicators and the chelating ability of the chelating agent; Step S3 includes the following sub-steps:

[0165] Step S301, randomly extracting a second number of historical indicators, and naming the historical content of the main component, the historical content of the impurity, and the historical stability of the mixture as the indicators to be correlated;

[0166] Step S302: for any relevant indicator, number the relevant indicator, and use the symbol Y i Indicates, where i is the second number; the chelation history capacity is numbered, and the symbol CH i express;

[0167] Step S303, using the correlation coefficient formula Calculate the correlation coefficients of different related indicators, where K is the correlation coefficient, Y i The average value of CH i The average value of; K includes K1, K2, K3 and K4, wherein K1 is the correlation coefficient of EDTA, K2 is the correlation coefficient of DTPA, K3 is the correlation coefficient of IC, and K4 is the correlation coefficient of STM;

[0168] Step S4, analyzing and calculating the quality index of the chelating agent based on the quality index and the correlation coefficient; Step S4 includes the following sub-steps:

[0169] Step S401, calculating the quality index and the correlation coefficient using a quality index calculation formula to obtain the quality index of the chelating agent;

[0170] Step S402: The quality index calculation formula is configured as:

[0171] , where R is the quality index;

[0172] Step S5, evaluating the quality of the chelating agent by a quality index; Step S5 includes the following sub-steps:

[0173] Step S501, obtaining the quality index of the chelating agent produced in a uniform batch, marked as the batch index;

[0174] Step S502, counting the number of indices in different batches, and marking them as index number;

[0175] Step S503, establishing a plane rectangular coordinate system with the batch index as the horizontal axis and the index number as the vertical axis, named as a quality grading diagram, and entering the batch index and the corresponding index number into the quality grading diagram;

[0176] Step S504, performing polynomial regression analysis on the quality grading graph to obtain a regression curve, which is marked as a quality grading curve;

[0177] Step S505, analyzing the quality classification curve, extracting the classification threshold and evaluating the quality of the chelating agent;

[0178] Step S505 includes the following sub-steps:

[0179] Step S5051, marking the left end point and the right end point of the quality grading curve as a valley point and a vertex;

[0180] Step S5052, setting a moving point on the quality grading curve, marked as a moving point;

[0181] Step S5053, connecting the moving point with the valley point, and connecting the moving point with the vertex, and marking the angle formed by the two connecting lines as the first reference angle;

[0182] Step S5054, moving the moving point, continuously recording the first reference angle, obtaining the minimum value of the first reference angle, marking it as a medium-high quality point, and marking the value of the horizontal axis corresponding to the medium-high quality point as a medium-high quality threshold;

[0183] Step S5055, connecting the moving point with the medium-high quality point and canceling the connection with the vertex. At this time, the angle between the two connecting lines is marked as the second reference angle;

[0184] Step S5056, continuously moving the moving point, recording the second reference angle, obtaining the minimum value of the second reference angle, marking it as a medium-low quality point, and marking the value of the horizontal axis corresponding to the medium-low quality point as a medium-low quality threshold;

[0185] Step S5057, obtain the quality index, compare the quality index with the medium-low quality threshold and the medium-high quality threshold, if the quality index is less than or equal to the medium-low quality threshold, output a quality-unqualified signal; if the quality index is greater than the medium-low quality threshold and less than or equal to the medium-high quality threshold, output a quality-qualified signal; if the quality index is greater than the medium-high quality threshold, output a high-quality signal.

[0186] Embodiment 3, the present application provides an electronic device, which may include: a processor, a communication interface, a memory and a communication bus, wherein the processor, the communication interface, and the memory communicate with each other through the communication bus. The memory stores computer-readable instructions, and the processor can call the instructions in the memory. When the computer-readable instructions are executed by the processor, the steps in a chelating agent quality safety detection data analysis method are executed to achieve the following functions: extract the components of the chelating agent and perform quality testing to obtain the basic indicators of the chelating agent; analyze and calculate the quality index of different basic indicators; analyze and calculate the correlation coefficient between different basic indicators and the chelating ability of the chelating agent; analyze and calculate the quality index of the chelating agent based on the quality index and the correlation coefficient; evaluate the quality of the chelating agent by the quality index.

[0187] In addition, the logic instructions in the above-mentioned memory can be implemented in the form of software functional units and can be stored in a computer-readable storage medium when sold or used as an independent product. Based on this understanding, the technical solution of the present application can be essentially or partly embodied in the form of a software product that contributes to the prior art. The computer software product is stored in a storage medium, including several instructions to enable a computer device (which can be a personal computer, server, or network device, etc.) to execute all or part of the steps of the method described in each embodiment of the present application. The aforementioned storage medium includes: U disk, mobile hard disk, read-only memory (ROM, Read-Only Memory), random access memory (RAM, Random Access Memory), disk or optical disk, etc. Various media that can store program codes.

[0188] Example 4. The present application also provides a computer-readable storage medium. The present application provides a storage medium on which a computer program is stored. When the computer program is executed by a processor, the steps in the above chelating agent quality and safety detection data analysis method are executed to achieve the following functions: extract the components of the chelating agent and perform quality testing to obtain the basic indicators of the chelating agent; analyze and calculate the quality index of different basic indicators; analyze and calculate the correlation coefficient between different basic indicators and the chelating ability of the chelating agent; analyze and calculate the quality index of the chelating agent based on the quality index and the correlation coefficient; and evaluate the quality of the chelating agent through the quality index.

[0189] Through the description of the above implementation methods, the embodiments of the present invention can be provided as methods, systems or computer program products. Based on such an understanding, the above technical solutions can be essentially or partly contributed to the prior art in the form of software products, which can be stored in a computer-readable storage medium, such as ROM / RAM, a magnetic disk, an optical disk, etc., and include several instructions for enabling a computer device (which can be a personal computer, a server, or a network device, etc.) to execute the methods described in each embodiment or some parts of the embodiments.

[0190] In the embodiments provided in the present application, it should be understood that the disclosed system or method can be implemented in other ways. The embodiments described above are merely schematic. For example, the division of modules or units is only a logical function division. There may be other division methods in actual implementation. For example, multiple modules or units can be combined or integrated into another system, or some features can be ignored or not executed. Another point is that the mutual coupling or direct coupling or communication connection shown or discussed can be through some communication interfaces, and the indirect coupling or communication connection of systems, modules and units can be electrical, mechanical or other forms.

[0191] Finally, it should be noted that the above embodiments are only used to illustrate the technical solutions of the present application, rather than to limit it. Although the present application has been described in detail with reference to the aforementioned embodiments, those skilled in the art should understand that they can still modify the technical solutions described in the aforementioned embodiments, or make equivalent replacements for some of the technical features therein. However, these modifications or replacements do not deviate the essence of the corresponding technical solutions from the spirit and scope of the technical solutions of the embodiments of the present application.

Claims

1. A chelating agent quality and safety detection data analysis method, characterized in that: The steps include: Extract ingredients and conduct quality tests on chelating agents to obtain basic indicators of chelating agents; Analyze and calculate the quality index of different basic indicators; Analyze and calculate the correlation coefficients between different basic indicators and the chelating capacity of the chelating agent; Calculate the quality index of the chelating agent based on the quality index and correlation coefficient analysis; The quality of chelating agents was evaluated by quality index; The evaluation of the quality of chelating agents by quality index includes the following sub-steps: Obtain the quality index of the chelating agent produced in a uniform batch, marked as the batch index; Count the number of indices in different batches, marked as index number; A plane rectangular coordinate system is established with the batch index as the horizontal axis and the index quantity as the vertical axis, named as the quality grading diagram, and the batch index and the corresponding index quantity are entered into the quality grading diagram; Perform polynomial regression analysis on the quality grading diagram to obtain a regression curve, which is marked as the quality grading curve; Analyze the quality classification curve, extract the classification threshold and evaluate the quality of the chelating agent; Analyzing the quality classification curve, extracting the classification threshold and evaluating the quality of the chelating agent includes the following sub-steps: Mark the left and right endpoints of the quality grading curve as valley points and apexes; A moving point is set on the quality classification curve, marked as a moving point; Connect the moving point with the valley point, and connect the moving point with the vertex at the same time, and mark the angle formed by the two connecting lines as the first reference angle; The moving point is moved, the first reference angle is continuously recorded, the minimum value of the first reference angle is obtained, and the minimum value is marked as a medium-high quality point, and the value of the horizontal axis corresponding to the medium-high quality point is marked as a medium-high quality threshold; Connect the moving point with the medium-high quality point and cancel the connection with the vertex. The angle between the two connecting lines is marked as the second reference angle. Continue to move the moving point, record the second reference angle, obtain the minimum value of the second reference angle, mark it as a medium-low quality point, and mark the value of the horizontal axis corresponding to the medium-low quality point as a medium-low quality threshold; The quality index is obtained, and the quality index is compared with the medium-low quality threshold and the medium-high quality threshold. If the quality index is less than or equal to the medium-low quality threshold, an unqualified quality signal is output; if the quality index is greater than the medium-low quality threshold and less than or equal to the medium-high quality threshold, a qualified quality signal is output; if the quality index is greater than the medium-high quality threshold, a high quality signal is output.

2. A chelating agent quality safety detection data analysis method according to claim 1, characterized in that: The extraction and quality testing of chelating agents to obtain basic indicators of chelating agents include the following sub-steps: The basic indicators include main component content, impurity content, mixture stability and chelating ability; The main components include ethylenediaminetetraacetic acid and diethylenetriaminepentaacetic acid, which are represented by the symbols EDTA and DTPA respectively; The impurity content includes the content of heavy metals and harmful substances, and the impurity content is the sum of the content of heavy metals and harmful substances; Test EDTA and DTPA in chelating agents by titration; The impurity content in the chelating agent is detected by atomic absorption spectroscopy and represented by the symbol IC; The chelating ability of the chelating agent was tested by metal ion titration curve analysis and represented by the symbol CA; The chelating agent is subjected to a stability test to detect the stability of the chelating agent mixture.

3. A chelating agent quality safety detection data analysis method according to claim 2, characterized in that: The stability test includes the following sub-steps: Preset a first temperature, a second temperature, a third temperature, a first pH value, a second pH value, and a third pH value; Setting a temperature decomposition test group and a PH decomposition test group, wherein the PH environment of the temperature decomposition test group is fixed to a second PH value, and the temperature environment of the PH decomposition test group is fixed to a second temperature; A first number of temperature test groups are set in the temperature decomposition test group, and the temperature test groups are marked by T n Indicates, where n is a non-zero natural number and n is the serial number of T, a first number of PH test groups are set in the PH decomposition test group, and the symbol P ｎ express; The first number is denoted as N1, T1 to T N1 The corresponding temperature environments are the first temperature, the second temperature and the third temperature in sequence; P1 to P N1 The corresponding pH environments are the first pH value, the second pH value, and the third pH value; By T n Test the decomposition rate of the chelating agent and mark the decomposition rate obtained by the test as RT n , through P n Test the decomposition rate of the chelating agent and mark the decomposition rate obtained by the test as RP n ; With ambient temperature as the X-axis, RT n A rectangular coordinate system is established for the Y axis, named as the temperature stability evaluation chart, with the ambient pH value as the X axis, RP ｎ Establish a plane rectangular coordinate system for the Y axis, named PH stability evaluation diagram, and convert RT n Enter the temperature stability evaluation chart according to the corresponding ambient temperature, and set RP ｎ Enter the corresponding environmental pH value into the pH stability assessment chart; Perform linear regression on the temperature stability evaluation graph and the pH stability evaluation graph to obtain the slope of the regression function, which are marked as temperature stability and pH stability, respectively. Calculate the reciprocal of the average values ​​of temperature stability and pH stability to obtain the final stability evaluation value of the chelating agent, which is marked as mixture stability and represented by the symbol STM.

4. A chelating agent quality safety detection data analysis method according to claim 3, characterized in that: The analysis and calculation of the quality index of different basic indicators includes the following sub-steps: Obtain historical basic indicators, mark them as historical indicators, and name the main component content, impurity content, mixture stability and chelating ability in the historical indicators as main component historical content, impurity historical content, mixture historical stability and chelating ability respectively; For the historical content of EDTA in the main components, obtain the minimum and maximum values, and mark them as EDTA respectively. min EDTA max , for the DTPA in the historical content of the main component, obtain the minimum and maximum values, marked as DTPA min and DTPA max ; For the historical impurity content, obtain the minimum and maximum values, and mark them as IC min IC max ; For the historical stability of the mixture, obtain the minimum and maximum values, marked as STM respectively min and STM max ; For the chelation history capacity, obtain the minimum and maximum values, marked as CA respectively. min and CA max ; The acquired data are normalized to obtain the quality index of different basic indicators.

5. A chelating agent quality safety detection data analysis method according to claim 4, characterized in that: Normalizing the acquired data to obtain the quality index of different basic indicators includes the following sub-steps: Mark the obtained EDTA, DTPA, IC, STM and CA as X, and min DTPA min 、IC min 、STM min and CA min Marked with X min , the corresponding EDTA max DTPA max 、IC max 、STM max and CA max Marked with X max ; By normalizing the formula Calculate the quality index of different basic indicators, where is the quality index, which includes , , , as well as .

6. A chelating agent quality safety detection data analysis method according to claim 5, characterized in that: The analysis and calculation of the correlation coefficients between different basic indicators and the chelating ability of the chelating agent includes the following sub-steps: A second number of historical indicators are randomly selected, and the historical content of the main component, the historical content of the impurity, and the historical stability of the mixture are named as the relevant indicators; For any relevant indicator, the relevant indicator is numbered and represented by the symbol Y i Indicates, where i is the second number; the chelation history capacity is numbered, and the symbol CH i express; Through the correlation coefficient formula Calculate the correlation coefficients of different related indicators, where K is the correlation coefficient, Y i The average value of CH i The average value of; K includes K1, K2, K3 and K4, wherein K1 is the correlation coefficient of EDTA, K2 is the correlation coefficient of DTPA, K3 is the correlation coefficient of IC, and K4 is the correlation coefficient of STM.

7. A chelating agent quality and safety detection data analysis method according to claim 6, characterized in that: The quality index of the chelating agent based on the quality index and the correlation coefficient analysis includes the following sub-steps: The quality index and the correlation coefficient are calculated by the quality index calculation formula to obtain the quality index of the chelating agent; The quality index calculation formula is configured as: , where R is the quality index.

8. A chelating agent quality and safety detection data analysis system, used to implement a chelating agent quality and safety detection data analysis method according to any one of claims 1 to 7, characterized in that: It includes an index extraction module, a quality index calculation module, a correlation coefficient calculation module, a quality index calculation module and a quality evaluation module; the index extraction module, the quality index calculation module, the correlation coefficient calculation module and the quality evaluation module are respectively connected with the quality index calculation module; The index extraction module is used to extract components and perform quality tests on the chelating agent to obtain basic indicators of the chelating agent; The quality index calculation module is used to analyze and calculate the quality indexes of different basic indicators; The correlation coefficient calculation module is used to analyze and calculate the correlation coefficients between different basic indicators and the chelating ability of the chelating agent; The quality index calculation module is used to calculate the quality index of the chelating agent based on the quality index and the correlation coefficient analysis; The quality evaluation module is used to evaluate the quality of the chelating agent through a quality index.

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