Chromatographic peak detection method and device, computer equipment, storage medium and computer program product

Abstract

The invention relates to a chromatographic peak detection method and device, computer equipment, a storage medium and a computer program product, and relates to the technical field of chromatographic analysis, the method in one embodiment comprises the following steps: obtaining chromatographic detection data, the chromatographic detection data comprising reaction time and corresponding signal intensity; traversing the chromatographic detection data, and identifying chromatographic peaks in the chromatographic detection data; based on the preset peak appearance time of the first component, determining a first component chromatographic peak corresponding to the determined first component in the chromatographic peaks; determining the appearance time of a second component associated with the first component based on the peak value time of the chromatographic peak of the first component and the relationship between the appearance time of the first component and the appearance time of the second component; and determining a second component chromatographic peak corresponding to the second component in the chromatographic peaks based on the appearance time of the second component. By adopting the scheme of the embodiment, the efficiency of determining the components of the chromatographic peak in the chromatographic peak detection process is improved.

Description

Technical Field

[0001] The present application relates to the technical field of chromatography analysis, and in particular to a chromatography peak detection method, apparatus, computer equipment, storage medium and computer program product. Background Art

[0002] In the field of chromatographic analysis, chromatographic analysis can be used to quantify or qualitate the components in a mixture. In the process of chromatographic analysis, after identifying the chromatographic peak in the chromatographic detection data, it is usually necessary to further determine which component the chromatographic peak belongs to.

[0003] However, the current chromatography analysis technology has the problem of low efficiency in determining the components of chromatographic peaks. Summary of the invention

[0004] Based on this, it is necessary to provide a chromatographic peak detection method, apparatus, computer equipment, computer-readable storage medium and computer program product that can improve the efficiency of determining the components of chromatographic peaks in order to solve the above technical problems.

[0005] In a first aspect, the present application provides a chromatographic peak detection method, wherein the method comprises:

[0006] Acquiring chromatographic detection data, wherein the chromatographic detection data includes a reaction time and a corresponding signal intensity;

[0007] Traversing the chromatographic detection data, and identifying chromatographic peaks in the chromatographic detection data;

[0008] Based on the preset peak elution time of the first component, determining a first component chromatographic peak in the chromatographic peaks corresponding to the first component;

[0009] Determine the peak time of the second component associated with the first component based on the peak time of the chromatographic peak of the first component and the relationship between the peak time of the first component and the peak time of the second component;

[0010] Based on the elution time of the second component, a second component chromatographic peak corresponding to the second component in the chromatographic peaks is determined.

[0011] Based on the chromatographic peak detection method of the embodiment as described above, after identifying the chromatographic peak with respect to the chromatographic detection data, the chromatographic peak of the first component corresponding to the first component can be determined from the chromatographic peak based on the preset peak time of the first component, that is, the component of the chromatographic peak of the first component can be determined to be the first component, and further based on the relationship between the peak time of the first component and the peak time of the second component, combined with the peak time of the chromatographic peak of the first component, the peak time of the second component can be determined, and then based on the peak time of the second component, the chromatographic peak of the second component corresponding to the second component can be determined from the chromatographic peak, that is, the component of the chromatographic peak of the second component can be determined to be the second part, so that on the basis of determining the chromatographic peak of the first component, combined with the relationship between the peak times of the first component and the second component, the category of the component of the chromatographic peak can be automatically and quickly determined, thereby improving the efficiency of determining the components of the chromatographic peak during the chromatographic peak detection process.

[0012] In some embodiments, the determining, based on the preset peak time of the first component, a first component chromatographic peak in the chromatographic peak corresponding to the first component comprises:

[0013] Among the chromatographic peaks, a chromatographic peak whose difference between the peak time and the preset peak time of the first component is within a preset range is determined as a first component chromatographic peak corresponding to the first component.

[0014] Based on this embodiment, on the basis of the identified chromatographic peak, the chromatographic peak whose difference between the peak time of the chromatographic peak and the preset peak time of the first component is within a preset range can be directly determined as the first component chromatographic peak corresponding to the first component, thereby quickly determining the first component chromatographic peak.

[0015] In some embodiments, determining a chromatographic peak whose difference between the peak time and the preset peak time of the first component is within a preset range as a first component chromatographic peak corresponding to the first component includes:

[0016] Among the chromatographic peaks, the chromatographic peak whose difference between the peak time and the preset peak time of the first component is within a preset range and whose peak value is the largest is determined as the first component chromatographic peak corresponding to the first component.

[0017] Based on this embodiment, when there are multiple chromatographic peaks whose difference between the peak time and the preset peak time of the first component is within a preset range, the chromatographic peak with the largest peak time among the multiple chromatographic peaks can be determined as the chromatographic peak of the first component corresponding to the first component. While quickly determining the chromatographic peak of the first component, the accuracy of obtaining the chromatographic peak of the first component is further improved.

[0018] In some embodiments, determining the second component chromatographic peak corresponding to the second component in the chromatographic peak based on the peak elution time of the second component includes:

[0019] Based on the peak time of the second component, determining the sliding window corresponding to the second component at the initial position of the chromatographic detection data;

[0020] The position of the sliding window is adjusted within a preset range, and the chromatographic peak located in the sliding window among the chromatographic peaks is determined as the second component chromatographic peak corresponding to the second component.

[0021] Based on this embodiment, the initial position of the sliding window corresponding to the second component in the chromatographic detection data can be quickly determined based on the peak time of the second component, so that the initial position of the sliding window used to determine the second component can be quickly determined, and on this basis, the sliding window is adjusted, so that the chromatographic peak of the second component corresponding to the second component can be quickly determined based on the peak time of the second component, thereby improving the efficiency of determining the chromatographic peak of the second component.

[0022] In some embodiments, after identifying the chromatographic peaks in the chromatographic detection data, the method further includes: determining the chromatographic peak characteristics of each of the chromatographic peaks, and determining the peak morphology information based on the chromatographic peak characteristics;

[0023] The step of adjusting the position of the sliding window within a preset range and determining the chromatographic peak located in the sliding window as the second component chromatographic peak corresponding to the second component includes:

[0024] Based on the chromatographic peak characteristics and peak morphology information of the chromatographic peak within the sliding window located at the initial position, the position of the sliding window is adjusted, and the chromatographic peak located in the adjusted sliding window is determined as the second component chromatographic peak corresponding to the second component.

[0025] Based on this embodiment scheme, it is possible to determine the chromatographic peak characteristics of the chromatographic peak, and determine the peak morphology information based on the chromatographic peak characteristics. After quickly determining the initial position of the sliding window based on the peak time of the second component, the position of the sliding window is further fine-tuned in combination with the chromatographic peak characteristics and the peak morphology information of the chromatographic peak. Since the chromatographic peak characteristics and the peak morphology information of the chromatographic peak can characterize the characteristics and morphology of the chromatographic peak, the sliding window is adjusted based on the chromatographic peak characteristics and the peak morphology information of the chromatographic peak, which can further improve the efficiency of moving the sliding window to the chromatographic peak of the second component corresponding to the second component, and can help to further improve the efficiency of chromatographic peak detection.

[0026] In some embodiments, after acquiring the chromatographic detection data, traversing the chromatographic detection data to identify chromatographic peaks in the chromatographic detection data, the method further includes:

[0027] The chromatographic detection data is filtered.

[0028] Based on this embodiment, after the chromatographic detection data is obtained, the chromatographic detection data is first filtered, thereby effectively reducing data fluctuations caused by noise, helping to improve the accuracy of the determined chromatographic peaks, and further improving the accuracy of the chromatographic peaks of the components.

[0029] In some embodiments, filtering the chromatographic detection data includes:

[0030] A preset sliding window of a preset length is slid on the chromatographic detection data, the maximum value and the minimum value of the chromatographic detection data within the preset sliding window are removed, and the average value of the remaining chromatographic detection data is calculated.

[0031] Based on this embodiment, when performing noise filtering on chromatographic detection data, extreme values ​​such as maximum and minimum values ​​are removed by sliding and then average processing is performed, which can effectively remove extreme values ​​or abnormal points in the data, remove short-term surges or noise points, and eliminate the impact of noise on subsequent recognition.

[0032] In some embodiments, traversing the chromatographic detection data and identifying chromatographic peaks in the chromatographic detection data includes:

[0033] For each data point in the chromatographic detection data, determine a first mean and a second mean corresponding to the data point, wherein the first mean is the mean of signal strengths of a first preset number of data points adjacent to the data point in a first direction, and the second mean is the mean of signal strengths of a first preset number of data points adjacent to the data point in a second direction, and the first direction is opposite to the second direction;

[0034] If the signal strength of the data point is greater than the first mean and greater than the second mean, reduce the first preset number by the first step length, and return to the step of determining the first mean and the second mean corresponding to the data point;

[0035] If the first preset number is less than or equal to the first step length, the data point is determined to be a peak point.

[0036] Based on this embodiment, when identifying chromatographic peaks in chromatographic detection data, the identification of chromatographic peaks is achieved by gradually narrowing the window, which helps to evaluate the local maximum properties of data points at different scales, thereby more accurately identifying the true peak value and improving the accuracy of identifying chromatographic peaks.

[0037] In some embodiments, after traversing the chromatographic detection data and identifying a chromatographic peak in the chromatographic detection data, and before determining a chromatographic peak of a first component in the chromatographic peak corresponding to the first component based on a preset peak time of the first component, the method further includes:

[0038] Obtaining chromatographic peak characteristics of each identified chromatographic peak;

[0039] Invalid peaks in the chromatographic peaks are removed based on the chromatographic peak characteristics.

[0040] Based on this embodiment, after identifying the chromatographic peaks based on the chromatographic detection data, it also identifies the chromatographic peak characteristics of each chromatographic peak, and removes invalid peaks in the identified chromatographic peaks based on the determined chromatographic peak characteristics, thereby removing the invalid peaks that are identified and affect the judgment, avoiding interference with the subsequent marking of chromatographic peak groups, and helping to improve the accuracy and efficiency of the marking of chromatographic peak groups.

[0041] In a second aspect, the present application also provides a chromatographic peak detection device. The device comprises:

[0042] A data acquisition module, used to acquire chromatographic detection data, wherein the chromatographic detection data includes a reaction time and a corresponding signal intensity;

[0043] A chromatographic peak initial identification module, used for traversing the chromatographic detection data and identifying chromatographic peaks in the chromatographic detection data;

[0044] A first component chromatographic peak determination module, configured to determine a first component chromatographic peak corresponding to the first component from the chromatographic peaks based on a preset peak elution time of the first component;

[0045] a peak time determination module, configured to determine a peak time of a second component associated with the first component based on the peak time of the chromatographic peak of the first component and the relationship between the peak time of the first component and the peak time of the second component;

[0046] The second component chromatographic peak determination module is used to determine the second component chromatographic peak corresponding to the second component from the chromatographic peaks based on the peak elution time of the second component.

[0047] In a third aspect, the present application further provides a computer device, wherein the computer device comprises a memory and a processor, wherein the memory stores a computer program, and when the processor executes the computer program, the steps of the method in any of the above embodiments are implemented.

[0048] In a fourth aspect, the present application further provides a computer-readable storage medium having a computer program stored thereon, and when the computer program is executed by a processor, the steps of the method in any of the above embodiments are implemented.

[0049] In a fifth aspect, the present application further provides a computer program product, which includes a computer program, and when the computer program is executed by a processor, the steps of the method in any of the above embodiments are implemented.

[0050] The above description is only an overview of the technical solution of the present application. In order to more clearly understand the technical means of the present application, it can be implemented in accordance with the contents of the specification. In order to make the above and other purposes, features and advantages of the present application more obvious and easy to understand, the specific implementation methods of the present application are listed below. BRIEF DESCRIPTION OF THE DRAWINGS

[0051] Figure 1 is an application environment diagram of a chromatographic peak detection method in an embodiment;

[0052] Figure 2 Schematic diagram of a chromatographic peak detection method in one embodiment;

[0053] Figure 3 is a schematic flow chart of a chromatographic peak detection method in another embodiment;

[0054] Figure 4 is a schematic flow chart of a chromatographic peak detection method in another embodiment;

[0055] Figure 5 is a schematic diagram of the peak morphology in one embodiment;

[0056] Figure 6 A schematic diagram of adjusting a sliding window in one embodiment;

[0057] Figure 7 is a schematic flow chart of a chromatographic peak detection method in another embodiment;

[0058] Figure 8 is a schematic flow chart of a chromatographic peak detection method in another embodiment;

[0059] Fig. 9 A schematic diagram of a process for identifying a chromatographic peak in one embodiment;

[0060] Fig.10 A schematic diagram of a process for identifying chromatographic peaks in a specific example;

[0061] Fig.11 A schematic diagram of a process for removing invalid peaks in one embodiment;

[0062] Fig.12 A schematic diagram of the principle of removing invalid peaks in one embodiment;

[0063] Fig.13 is a schematic diagram of a flow chart of a chromatographic peak detection method in a specific example;

[0064] Fig.14 is a structural block diagram of a chromatographic peak detection device in one embodiment;

[0065] Fig.15 is an internal structure diagram of a computer device in one embodiment;

[0066] Fig.16 FIG. 4 is a diagram showing the internal structure of a computer device in another embodiment. DETAILED DESCRIPTION

[0067] In order to make the purpose, technical solution and advantages of the present application more clearly understood, the present application is further described in detail below in conjunction with the accompanying drawings and embodiments. It should be understood that the specific embodiments described herein are only used to explain the present application and are not used to limit the present application.

[0068] The following embodiments of the technical solution of the present application are described in detail in conjunction with the accompanying drawings. The following embodiments are only used to more clearly illustrate the technical solution of the present application, and are therefore only used as examples, and cannot be used to limit the scope of protection of the present application.

[0069] Unless otherwise defined, all technical and scientific terms used herein have the same meaning as commonly understood by technicians in the technical field to which this application belongs; the terms used herein are only for the purpose of describing specific embodiments and are not intended to limit this application; the terms "including" and "having" in the specification and claims of this application and the above-mentioned figure descriptions and any variations thereof are intended to cover non-exclusive inclusions.

[0070] In the description of the embodiments of the present application, the technical terms "first", "second", etc. are only used to distinguish different objects, and cannot be understood as indicating or implying relative importance or implicitly indicating the number, specific order or primary and secondary relationship of the indicated technical features. In the description of the embodiments of the present application, the meaning of "multiple" is more than two, unless otherwise clearly and specifically defined.

[0071] Reference to "embodiments" herein means that a particular feature, structure, or characteristic described in conjunction with the embodiments may be included in at least one embodiment of the present application. The appearance of the phrase in various locations in the specification does not necessarily refer to the same embodiment, nor is it an independent or alternative embodiment that is mutually exclusive with other embodiments. It is explicitly and implicitly understood by those skilled in the art that the embodiments described herein may be combined with other embodiments.

[0072] In the description of the embodiments of the present application, the term "and / or" is only a description of the association relationship of the associated objects, indicating that there may be three relationships. For example, A and / or B can represent: A exists alone, A and B exist at the same time, and B exists alone. In addition, the character " / " in this article generally indicates that the associated objects before and after are in an "or" relationship.

[0073] In the description of the embodiments of the present application, the term "multiple" refers to more than two (including two). Similarly, "multiple groups" refers to more than two groups (including two groups), and "multiple pieces" refers to more than two pieces (including two pieces).

[0074] At present, in the field of chromatography analysis, accurate identification of chromatographic peaks is crucial for qualitative and quantitative analysis of compounds. The chromatographic peak monitoring method in the related art determines the identification interval based on the situation of the chromatogram spectrum. However, when processing complex samples, it may be affected by problems such as chromatographic peak overlap, baseline drift, noise interference, etc., resulting in inaccurate or inefficient identification results. For example, in chromatographic analysis, if peaks are identified within a fixed interval and marked as a certain type, not only are high requirements on instruments and reagents, but also abnormal situations often occur, resulting in peak identification errors. Manually setting parameters requires certain professional knowledge and experience. For complex or unknown samples, it is particularly difficult to set parameters correctly. Frequent user intervention also limits the degree of automation of chromatographic analysis.

[0075] Through research, it was found that in the process of chemical reaction, some components will have a predetermined elution time, so that the chromatographic peaks of such components can be quickly determined, and the chromatographic peaks of the components of a certain type can be determined. There will also be a certain correlation between the elution times of different components. For example, a component may appear before or after another component within a certain period of time. Therefore, based on the chromatographic peaks of the components of a certain type, the chromatographic peaks of other components can be quickly identified based on the relationship between the elution times of different components, so as to improve the accuracy and recognition efficiency of chromatographic peak detection.

[0076] Accordingly, the embodiment of the present application provides a chromatographic peak detection method. The chromatographic peak detection method provided by the present application can be applied to Figure 1In the application environment shown. Among them, the terminal 102 communicates with the server 104 through a network. In some embodiments, the terminal 102 obtains the chromatographic detection data, identifies the chromatographic peaks in the chromatographic detection data, and determines the component categories of the chromatographic peaks. In other embodiments, the server 104 may also obtain the chromatographic detection data, identify the chromatographic peaks in the chromatographic detection data, and determine the component categories of the chromatographic peaks. In other embodiments, the chromatographic peaks in the chromatographic detection data and the component categories of the chromatographic peaks can be identified through the interaction between the terminal 102 and the server 104. For example, after the terminal 102 obtains the chromatographic detection data, the chromatographic detection data is transmitted to the server 104, and the server 104 identifies the chromatographic peaks in the chromatographic detection data, determines the component categories of the chromatographic peaks, and feeds back the obtained results to the terminal 102.

[0077] The terminal 102 may be, but is not limited to, various personal computers, laptop computers, smart phones, tablet computers, and portable wearable devices, and the server 104 may be implemented as an independent server or a server cluster consisting of multiple servers.

[0078] The application scenario may also involve a data storage system, which may store data related to chromatographic peak detection, or data that needs to be applied or processed during chromatographic peak detection, such as chromatographic detection data, the relationship between the peak time of the first component and the peak time of the second component, etc. The data storage system may be integrated on a server, or placed on a cloud or other network server, or may be set in other storage devices, as long as the terminal 102 or the server 104 can obtain these data from it.

[0079] In one embodiment, Figure 2 As shown, a chromatographic peak detection method is provided, which is applied to Figure 1 The terminal 102 or the server 104 in the example is used as an example to illustrate, and the following steps are included:

[0080] Step S201: Acquire chromatographic detection data, wherein the chromatographic detection data includes reaction time and corresponding signal intensity.

[0081] Chromatographic detection data is data obtained by the chromatograph detector, which includes a record of signal intensity that changes over time, and usually includes reaction time and corresponding signal intensity. The obtained chromatographic detection data can be multiple sets of corresponding reaction time and signal intensity, or a detection curve obtained based on multiple sets of reaction time and signal intensity, which can usually be called a chromatogram or a chromatogram curve.

[0082] Among them, the reaction time is the reaction time of the reaction liquid, which can be the detection time of the chromatograph detector. In some specific examples, it can be a record of the detection time after the chromatograph detector starts detection, or it can be a record of the detection time after the chromatograph detector starts detection after receiving an instruction to start detection or other signals.

[0083] Signal intensity is the intensity of the signal detected based on the reaction of the reaction liquid during the reaction process. The signal usually comes from the detector's response to the components in the reaction liquid sample. Among them, the detector may output an analog signal when performing detection, so it is necessary to convert the analog signal into a digital signal through an analog-to-digital converter (ADC) so that the digital system can process and analyze it. The ADC captures the signal at a specific time interval through a sampling step, and then temporarily stabilizes these sampled values ​​through a holding circuit, and then maps the sampled analog signal voltage value to a discrete digital level. This process is called quantization, and its accuracy is determined by the resolution of the ADC. The higher the resolution, the finer the digitization of the signal.

[0084] Take a chromatogram curve as an example, in which the horizontal axis may represent time and the vertical axis represents the response signal of the detector.

[0085] The type of signal is not limited. In some embodiments, the type of response signal may include absorbance.

[0086] Step S202: traverse the chromatographic detection data to identify chromatographic peaks in the chromatographic detection data.

[0087] By traversing and searching the obtained chromatographic detection data, chromatographic peaks in the chromatographic detection data can be identified.

[0088] The chromatographic peak is the protruding part on the curve generated by the continuous signal of the response when the component flows through the detector. The chromatographic peak in the chromatographic monitoring data can be identified by detecting the peak point in the chromatographic monitoring data.

[0089] Step S203: based on the preset peak elution time of the first component, determining a first component chromatographic peak in the chromatographic peaks corresponding to the first component.

[0090] The first component is a component with a relatively fixed peak time when variables such as the chromatographic column and the reagent formula are constant. Since the peak time is relatively fixed, the first component chromatographic peak corresponding to the first component can be determined from the detected chromatographic peaks based on the preset peak time of the first component, that is, the component corresponding to the first component chromatographic peak is determined to be the first component.

[0091] Step S204: Based on the peak time of the chromatographic peak of the first component and the relationship between the peak time of the first component and the peak time of the second component, determine the peak time of the second component associated with the first component.

[0092] When the sample is mixed with the reagent, passes through the column and reaches the detector, different components will generate one chromatographic peak after another on the chromatogram. At this time, for these chromatographic peaks, the state of the instrument is consistent, and the chromatographic column and reagents are also consistent. Therefore, there is a certain correlation between the chromatographic peak of the known component (first component) and the chromatographic peaks of other components (second component). Therefore, based on the relationship between the peak time of the first component and the peak time of the second component, the peak time of the second component can be determined.

[0093] The second component may include only one component or more than two components. When the second component includes more than two components, each component has a corresponding relationship between the peak time and the peak time of the first component.

[0094] Step S205: based on the elution time of the second component, determining a second component chromatographic peak in the chromatographic peaks corresponding to the second component.

[0095] Based on the peak elution time of the second component, the approximate position of the chromatographic peak of the second component can be determined, thereby quickly determining the approximate position of the chromatographic peak of the second component based on the determined peak elution time of the second component, and thereby determining the chromatographic peak of the second component corresponding to the second component in the chromatographic peak.

[0096] Based on the chromatographic peak detection method of the embodiment as described above, after identifying the chromatographic peak with respect to the chromatographic detection data, the chromatographic peak of the first component corresponding to the first component can be determined from the chromatographic peak based on the preset peak time of the first component, that is, the component of the chromatographic peak of the first component can be determined to be the first component, and further based on the relationship between the peak time of the first component and the peak time of the second component, combined with the peak time of the chromatographic peak of the first component, the peak time of the second component can be determined, and then based on the peak time of the second component, the chromatographic peak of the second component corresponding to the second component can be determined from the chromatographic peak, that is, the component of the chromatographic peak of the second component can be determined to be the second part, so that on the basis of determining the chromatographic peak of the first component, combined with the relationship between the peak times of the first component and the second component, the category of the component of the chromatographic peak can be automatically and quickly determined, thereby improving the efficiency of determining the components of the chromatographic peak during the chromatographic peak detection process.

[0097] Wherein, in the above step S203, when determining the first component chromatographic peak corresponding to the first component in the chromatographic peaks based on the preset peak time of the first component, some specific examples may include:

[0098] Among the chromatographic peaks, a chromatographic peak whose difference between the peak time and the preset peak time of the first component is within a preset range is determined as a first component chromatographic peak corresponding to the first component.

[0099] There may be only one chromatographic peak whose difference between the peak time and the preset peak time of the first component is within the preset range. In this case, the chromatographic peak is determined as the first component chromatographic peak corresponding to the first component.

[0100] Wherein, determining the first component chromatographic peak corresponding to the first component may be marking the component category of the chromatographic peak as the first component.

[0101] Based on this embodiment, on the basis of the identified chromatographic peak, the chromatographic peak whose difference between the peak time of the chromatographic peak and the preset peak time of the first component is within a preset range can be directly determined as the first component chromatographic peak corresponding to the first component, thereby quickly determining the first component chromatographic peak.

[0102] In some other possible scenarios, there may be more than two chromatographic peaks whose difference between the peak time and the preset peak time of the first component is within a preset range. In this case, the chromatographic peak with the largest peak value among the multiple chromatographic peaks can be determined as the first component chromatographic peak corresponding to the first component. In this case, determining the chromatographic peak whose difference between the peak time and the preset peak time of the first component is within a preset range as the first component chromatographic peak corresponding to the first component includes:

[0103] Among the chromatographic peaks, the chromatographic peak whose difference between the peak time and the preset peak time of the first component is within a preset range and whose peak value is the largest is determined as the first component chromatographic peak corresponding to the first component.

[0104] Based on this embodiment, when there are multiple chromatographic peaks whose difference between the peak time and the preset peak time of the first component is within a preset range, the chromatographic peak with the largest peak time among the multiple chromatographic peaks can be determined as the chromatographic peak of the first component corresponding to the first component. While quickly determining the chromatographic peak of the first component, the accuracy of obtaining the chromatographic peak of the first component is further improved.

[0105] The relationship between the peak time of the first component and the peak time of the second component can be obtained in advance through a large number of experiments. For example, after obtaining the chromatogram of the test experiment through a large number of test experiments, the peak time of the first component and the peak time of the second component in the chromatogram can be manually marked to obtain multiple sets of data, each set of data includes the corresponding peak time of the first component and the peak time of the second component. By performing data fitting on these multiple sets of data, the relationship between the peak time of the first component and the peak time of the second component can be obtained.

[0106] There is no limitation on the method of fitting the data. In some examples, the relationship between the peak time of the first component and the peak time of the second component obtained by data fitting can be expressed by the following formula: y=k*x+b.

[0107] Wherein, x is the peak time of the first component, which can be specifically the position or abscissa in the chromatogram curve, y is the peak time of the second component, which can be specifically the position or abscissa in the chromatogram curve. k and b are constant systems, which are determined in the process of fitting the data.

[0108] Based on the elution time of the second component, various possible methods can be used to determine the second component chromatographic peak corresponding to the second component in the chromatographic peak. Figure 3 As shown, the step S205 of determining the second component chromatographic peak corresponding to the second component in the chromatographic peaks based on the peak elution time of the second component includes:

[0109] Step S2051: Based on the peak time of the second component, determine the sliding window corresponding to the second component at the initial position of the chromatographic detection data.

[0110] Based on the peak time of the second component, the approximate occurrence position of the peak value of the chromatographic peak of the second component can be determined, so that the position of the peak time can be used as the initial position of the sliding window corresponding to the second component.

[0111] The sliding window corresponding to the second component is a sliding window for searching for the chromatographic peak of the second component, and the length of the sliding window can be determined based on the duration of time during which the signal of the second component can be detected. The specific duration can be determined based on the statistical reaction duration of the second component.

[0112] Step S2052: adjusting the position of the sliding window within a preset range, and determining the chromatographic peak located in the sliding window among the chromatographic peaks as the second component chromatographic peak corresponding to the second component.

[0113] The determined peak elution time of the second component is the expected peak elution time of the second component. In each reaction process, the actual peak elution time of the second component may not be exactly the same as the expected peak elution time, so that the position of the sliding window can be fine-tuned within a preset range, and the chromatographic peak located in the sliding window after fine-tuning is determined as the chromatographic peak of the second component corresponding to the second component.

[0114] Based on this embodiment, the initial position of the sliding window corresponding to the second component in the chromatographic detection data can be quickly determined based on the peak time of the second component, so that the initial position of the sliding window used to determine the second component can be quickly determined, and on this basis, the sliding window is adjusted, so that the chromatographic peak of the second component corresponding to the second component can be quickly determined based on the peak time of the second component, thereby improving the efficiency of determining the chromatographic peak of the second component.

[0115] The manner of adjusting the sliding window is not limited. Figure 4 As shown, after identifying the chromatographic peaks in the chromatographic detection data, the method further includes: Step S401: determining the chromatographic peak characteristics of each of the chromatographic peaks, and determining the peak morphology information based on the chromatographic peak characteristics.

[0116] Chromatographic peak characteristics are information used to characterize the morphological characteristics of the chromatographic peak. The specific types of morphological characteristics are not limited, and include but are not limited to peak width, peak height, peak area, etc.

[0117] Among them, the peak height represents the signal intensity at the top of the chromatographic peak, that is, the maximum height perpendicular to the bottom of the peak. The peak area refers to the sum of the chromatographic peak from the left trough to the right trough. The total area of ​​the peak can be calculated by the accumulation process. The peak width refers to the distance between the two intersection points of the two tangent lines and the baseline at the inflection points on both sides of the chromatographic peak. The inflection point refers to the end point where the change trend of the slope of the tangent changes when moving from the trough of the chromatographic peak to the peak point. Among them, when the trough of the chromatographic peak moves to the peak point, the slope of the tangent will gradually change. Taking the left inflection point of the chromatographic peak as an example, when gradually moving from the left trough to the peak point, the slope reaches the maximum when it reaches a certain point, and then the slope will gradually decrease until the slope of the tangent at the peak point becomes zero. At this time, when the slope reaches the maximum value and is about to become smaller, the point where the slope of the tangent changes becomes the left inflection point. Similarly, the right inflection point can be found.

[0118] Based on the peak area of ​​each chromatographic peak and the total area of ​​the chromatogram, the peak area ratio of each chromatographic peak can be further calculated. In general, the peak area ratio can be the ratio of the peak area of ​​the chromatographic peak to the total area. Based on the peak height, peak area, peak width and peak area ratio of each chromatographic peak, it can also be used to assist in determining whether the chromatographic peak is a valid peak.

[0119] Peak morphology information is information used to represent the shape of the chromatographic peak. The chromatographic peak is the protrusion on the elution curve. A normal chromatographic peak is a symmetrical normal distribution curve, that is, there is a curve and the curve has a highest point. With the horizontal coordinate of the highest point as the center, the curve symmetrically decreases rapidly and monotonically to both sides. There are usually two types of abnormal chromatographic peaks: tailing peaks and front peaks.

[0120] A tailing peak is an asymmetric peak with a steep front edge and a gentle back edge; a leading peak is an asymmetric peak with a gentle front edge and a steep back edge, such as Figure 5 shown.

[0121] Normal chromatographic peaks and abnormal chromatographic peaks can be distinguished by symmetry factors To measure, the formula can be expressed as:

[0122] in, It is the chromatographic peak width at 0.05 times the chromatographic peak height, and A and B are the distances between the front and rear edges of the chromatographic peak and the vertical line from the apex of the chromatographic peak to the baseline at that location, respectively.

[0123] The symmetry factor is calculated Afterwards, when the symmetry factor If the symmetry factor is within the preset range (e.g. 0.95-1.05), the chromatographic peak is a symmetrical peak. If the value is less than the minimum value of the preset range, such as less than 0.95, it is a front peak. If it is greater than the maximum value of the preset range, such as greater than 1.05, it is a tailing peak.

[0124] Based on the determined peak morphology information of the chromatographic peak, a corresponding peak morphology label may be added to the chromatographic peak.

[0125] At this time, continue to refer to Figure 4 As shown, the above step S2052 of adjusting the position of the sliding window within a preset range and determining the chromatographic peak located in the sliding window as the second component chromatographic peak corresponding to the second component includes:

[0126] Step S402: Based on the chromatographic peak characteristics and peak morphology information of the chromatographic peak within the sliding window located at the initial position, the position of the sliding window is adjusted, and the chromatographic peak located in the adjusted sliding window is determined as the second component chromatographic peak corresponding to the second component.

[0127] By determining the chromatographic peak characteristics and peak morphology information of the chromatographic peaks, the position of the sliding window can be adjusted in a targeted manner in combination with the chromatographic peak characteristics and peak morphology information of each chromatographic peak, thereby enabling the sliding window to be adjusted in a targeted manner.

[0128] Some specific examples of adjusting the sliding window are shown in the following figure: Figure 6 As shown, for the sliding window of the second component, the position of the sliding window can be determined based on the relationship between the peak elution time of the first component and the peak elution time of the second component (i.e., the correlation equation), and then the position behind the sliding window can be fine-tuned in combination with the peak characteristics and peak morphology information. After the adjustment, the chromatographic peak is within the sliding window.

[0129] Based on this embodiment scheme, it is possible to determine the chromatographic peak characteristics of the chromatographic peak, and determine the peak morphology information based on the chromatographic peak characteristics. After quickly determining the initial position of the sliding window based on the peak time of the second component, the position of the sliding window is further fine-tuned in combination with the chromatographic peak characteristics and the peak morphology information of the chromatographic peak. Since the chromatographic peak characteristics and the peak morphology information of the chromatographic peak can characterize the characteristics and morphology of the chromatographic peak, the sliding window is adjusted based on the chromatographic peak characteristics and the peak morphology information of the chromatographic peak, which can further improve the efficiency of moving the sliding window to the chromatographic peak of the second component corresponding to the second component, and can help to further improve the efficiency of chromatographic peak detection.

[0130] In some embodiments, reference Figure 7 As shown, after acquiring the chromatographic detection data in step S201 and before traversing the chromatographic detection data and identifying chromatographic peaks in the chromatographic detection data in step S202, the method further includes:

[0131] Step S701: filtering the chromatogram detection data.

[0132] Filtering is a process that can remove noise from data and / or smooth data. Through filtering, the quality of data signals can be improved.

[0133] Based on this embodiment, after the chromatographic detection data is obtained, the chromatographic detection data is first filtered, thereby effectively reducing data fluctuations caused by noise, helping to improve the accuracy of the determined chromatographic peaks, and further improving the accuracy of the chromatographic peaks of the components.

[0134] The filtering method is not limited. In some embodiments, reference Figure 8 As shown, the filtering process of the chromatogram detection data in the above step S701 includes:

[0135] Step S7010: sliding a preset sliding window of a preset length on the chromatographic detection data, removing the maximum value and the minimum value of the chromatographic detection data within the preset sliding window, and calculating the average value of the remaining chromatographic detection data.

[0136] When the preset sliding window slides over the chromatographic detection data, taking the window length of the preset sliding window as L as an example, after removing the maximum and maximum values ​​of the L data in the window, the average value of the data values ​​of the remaining L-2 data is used as the data value of the corresponding data point in the preset sliding window. The method of the corresponding data point is not limited. In some examples, the corresponding data point can be a data point in the middle of the L data. In this case, it can be from the first Starting from data points, a preset sliding window is used to slide for filtering.

[0137] Based on this embodiment, when performing noise filtering on chromatographic detection data, extreme values ​​such as maximum and minimum values ​​are removed by sliding and then average processing is performed, which can effectively remove extreme values ​​or abnormal points in the data, remove short-term surges or noise points, and eliminate the impact of noise on subsequent recognition.

[0138] The method for identifying the chromatographic peak in the chromatographic detection data is not limited. In some embodiments, reference is made to Fig. 9 As shown, traversing the chromatographic detection data and identifying chromatographic peaks in the chromatographic detection data includes:

[0139] Step S901: For each data point in the chromatographic detection data, determine a first mean and a second mean corresponding to the data point, wherein the first mean is the mean of the signal strengths of a first preset number of data points adjacent to the data point in a first direction, and the second mean is the mean of the signal strengths of a first preset number of data points adjacent to the data point in a second direction, and the first direction is opposite to the second direction.

[0140] Step S902: If the signal strength of the data point is greater than the first mean and greater than the second mean, reduce the first preset number by the first step length, and return to the step of determining the first mean and the second mean corresponding to the data point.

[0141] Step S903: If the first preset number is less than or equal to the first step length, determine that the data point is a peak point.

[0142] Taking the first mean as A1, the second mean as A2, the first preset number as N, and the first step length as m as an example, the process of identifying the chromatographic peak can be as follows: Fig.10 shown.

[0143] Fig.10 As shown, for the i-th data point, the first mean A1 of the N data points adjacent to the data point i in a first direction (such as adjacent to the left) is calculated, and the second mean A2 of the N data points adjacent to the data point i in a second direction (such as adjacent to the right) is calculated, and the data value Si of the data point i is compared with the first mean A1 and the second mean A2.

[0144] If Si>A1 and Si>A2, execute the subsequent steps, otherwise exit the determination of whether data point i is a peak point and move to the next data point i+1 to determine whether data point i+1 is a peak point.

[0145] When Si>A1 and Si>A2, reduce the comparison window to Nm, calculate the first mean A1 of the Nm data points adjacent to the left of the data point i, and the second mean A2 of the Nm points adjacent to the right of the data point i.

[0146] When Si>A1 and Si>A2, the comparison window is further narrowed to Nmm, the first mean A1 of the Nmm data points adjacent to the left of the data point i and the second mean A2 of the Nmm points adjacent to the right of the data point i are calculated, and the data value Si of the data point i is compared with the first mean A1 and the second mean A2.

[0147] Repeat the above process, and each time when Si>A1 and Si>A2, each window iteration is reduced by m, and so on. Until the first preset number N is less than or equal to m, that is, the window size has been reduced to the point where it cannot be reduced any further, then exit the loop iteration and record the data point i as the peak point. Move to the next data point i+1 and determine whether the data point i+1 is a peak point.

[0148] It can be understood that in each of the above iterations, only when the data value Si of the current data point i is greater than both the first mean value A1 and the second mean value A2 of the step, will the window be reduced by m and the next round of comparison be performed. As long as this condition is not met in any round, the determination of whether the data point i is a peak point is exited, and the next data point i+1 is moved to, and the determination process of whether the data point i+1 is a peak point is performed.

[0149] This method of gradually shrinking the window helps to evaluate the local maximum properties of data points at different scales, thereby more accurately identifying the true peak. It also reduces the impact of accidental fluctuations by considering multiple data points around a point, which is particularly suitable for situations where the peak is not very sharp or there is noise in the signal.

[0150] Based on this embodiment, when identifying chromatographic peaks in chromatographic detection data, the identification of chromatographic peaks is achieved by gradually narrowing the window, which helps to evaluate the local maximum properties of data points at different scales, thereby more accurately identifying the true peak value and improving the accuracy of identifying chromatographic peaks.

[0151] In some embodiments, reference Fig.11 As shown, after traversing the chromatographic detection data and identifying the chromatographic peaks in the chromatographic detection data, before determining the chromatographic peak of the first component corresponding to the first component in the chromatographic peaks based on the preset peak time of the first component, the method further includes:

[0152] Step S1101: determining the chromatographic peak characteristics of each of the chromatographic peaks.

[0153] The method of determining the chromatographic peak characteristics of each chromatographic peak may be the same as that in the above step S401.

[0154] Step S1102: removing invalid peaks in the chromatographic peaks based on the chromatographic peak characteristics.

[0155] After filtering the chromatographic detection data, there may still be some invalid interference peaks or miscellaneous peaks that affect the judgment, which are called invalid peaks in the embodiment of the present application. Therefore, after finding all possible chromatographic peaks, the invalid peaks in the chromatographic peaks are further removed.

[0156] Among them, interference peaks or impurity peaks may be caused by a variety of factors, some possible factors include chromatographic column contamination, sample contamination, instrument component blockage, etc. Therefore, it is necessary to distinguish and filter out these unnecessary peaks such as impurity peaks to avoid subsequent interference with peak type labeling.

[0157] In the embodiment of the present application, the chromatographic peak features of the identified chromatographic peaks can be combined to identify and remove invalid peaks in the chromatographic peaks.

[0158] In some specific examples, when the chromatographic peak features include peak width, peak height, and peak area, a peak width threshold, a peak height threshold, and a peak area threshold may be set, and when any one, two, or all of the three conditions that the peak width of the identified chromatographic peak is less than the peak width threshold, the peak height is less than the peak height threshold, and the peak area is less than the peak area threshold are met, the chromatographic peak is determined to be an invalid peak. Based on this principle of identifying invalid peaks, the following can be used: Fig.12 shown.

[0159] Based on this embodiment, after identifying the chromatographic peaks based on the chromatographic detection data, it also identifies the chromatographic peak characteristics of each chromatographic peak, and removes the identified invalid peaks at the terminal of the chromatographic peak on the basis of the determined chromatographic peak characteristics, thereby removing the identified invalid peaks that are invalid and will affect the judgment, avoiding interference with the subsequent marking of chromatographic peak groups, and helping to improve the accuracy and efficiency of the marking of chromatographic peak groups.

[0160] Based on the above-mentioned examples, detailed explanation is given below in combination with specific examples.

[0161] refer to Fig.13 As shown, first, the chromatographic detection data obtained by the chromatograph detector is input into a data processing system, such as the terminal 102 or server 104 as described above, and the chromatographic detection data includes the reaction time and the corresponding signal strength. The terminal 102 or server 104 enters the subsequent processing process.

[0162] After obtaining the chromatographic detection data, sliding filtering is performed to remove extreme value interference: Since the original chromatographic detection data may contain noise and outliers, sliding filtering is first performed to remove extreme values. Specifically, a window is slid on the chromatographic detection data, and the average value after removing the extreme values ​​(maximum and minimum values) is calculated at each window position as the filtered data value (such as signal strength value) at the window position to smooth the data and reduce the impact of noise.

[0163] After the sliding filtering is performed, the chromatographic detection data after the sliding filtering is traversed to find all potential chromatographic peaks. Specifically, all possible chromatographic peaks can be found by continuously narrowing the window.

[0164] After all possible chromatographic peaks are found, the chromatographic peak characteristics of each chromatographic peak are calculated. The peak characteristics may be chromatographic peak characteristics, such as peak height, peak area, peak width, and peak area ratio.

[0165] After obtaining the chromatographic peak characteristics, remove invalid peaks such as miscellaneous peaks based on the chromatographic peak characteristics: for example, remove miscellaneous peaks with a peak height less than a peak height threshold, a peak area less than a peak area threshold, a peak width less than a peak width threshold, or a peak area ratio less than a preset ratio threshold. For the remaining chromatographic peaks after removing the invalid peaks, enter the subsequent processing.

[0166] For the remaining chromatographic peaks after removing the invalid peaks, the peak shape is estimated in combination with the chromatographic peak characteristics of each chromatographic peak: such as whether the peak is symmetrical, front-end or tailing, so that it can be determined whether the chromatographic peak is a symmetrical peak, a front-end peak or a tailing peak. Based on the peak shape of the chromatographic peak, the properties of the system can be estimated, such as whether the column is overloaded, the sample is decomposed or the column efficiency is reduced.

[0167] For the remaining chromatographic peaks after removing the invalid peaks, determine the established type peaks: that is, if the type of a chromatographic peak is known and the chemical properties of its components can be confirmed, the chromatographic peak can be used as a peak of established type, such as the chromatographic peak of the first component mentioned above. Using the chromatographic peak of the first component, the chromatographic peaks of other components in the chromatogram can be identified. Specifically, based on the peak time of the chromatographic peak of the first component, combined with the relationship between the peak time of the first component and the peak time of the second component, the peak time of the second component associated with the first component can be determined, so that the initial position of the sliding window corresponding to the second component can be determined in combination with the peak time of the second component.

[0168] After determining the initial position of the sliding window corresponding to the second component, the position of the sliding window can be fine-tuned in combination with the peak morphology of the chromatographic peak to identify the second component chromatographic peak corresponding to the second component.

[0169] In combination with the chromatographic peaks identified by the sliding window based on each component, the corresponding chromatographic peaks can be marked, and the marked information can include the type of the chromatographic peak, which can be the component of the chromatographic peak. In addition, the marked information can also include the chromatographic peak characteristics of the identified peaks, which is helpful for subsequent final qualitative analysis and quantitative analysis in combination with the chromatographic peak characteristics.

[0170] It should be understood that, although the various steps in the flowcharts involved in the above-mentioned embodiments are displayed in sequence according to the indication of the arrows, these steps are not necessarily executed in sequence according to the order indicated by the arrows. Unless there is a clear explanation in this article, the execution of these steps does not have a strict order restriction, and these steps can be executed in other orders. Moreover, at least a part of the steps in the flowcharts involved in the above-mentioned embodiments can include multiple steps or multiple stages, and these steps or stages are not necessarily executed at the same time, but can be executed at different times, and the execution order of these steps or stages is not necessarily to be carried out in sequence, but can be executed in turn or alternately with other steps or at least a part of the steps or stages in other steps.

[0171] Based on the same inventive concept, the embodiment of the present application also provides a chromatographic peak detection device for implementing the chromatographic peak detection method involved above. The implementation scheme for solving the problem provided by the device is similar to the implementation scheme recorded in the above method, so the specific limitations in one or more chromatographic peak detection device embodiments provided below can refer to the limitations of the chromatographic peak detection method above, and will not be repeated here.

[0172] In one embodiment, Fig.14 As shown, a chromatographic peak detection device is provided, comprising: a data acquisition module 1401, a chromatographic peak initial identification module 1402, a first component chromatographic peak determination module 1403, a peak time determination module 1404, and a second component chromatographic peak determination module 1405, wherein:

[0173] The data acquisition module 1401 is used to acquire chromatographic detection data, wherein the chromatographic detection data includes reaction time and corresponding signal intensity;

[0174] A chromatographic peak initial identification module 1402 is used to traverse the chromatographic detection data and identify chromatographic peaks in the chromatographic detection data;

[0175] A first component chromatographic peak determination module 1403, configured to determine a first component chromatographic peak corresponding to the first component from the chromatographic peaks based on a preset peak elution time of the first component;

[0176] A peak time determination module 1404, configured to determine a peak time of a second component associated with the first component based on the peak time of the chromatographic peak of the first component and the relationship between the peak time of the first component and the peak time of the second component;

[0177] The second component chromatographic peak determining module 1405 is used to determine the second component chromatographic peak corresponding to the second component from the chromatographic peaks based on the peak elution time of the second component.

[0178] In some embodiments, the first component chromatographic peak determination module 1403 is used to determine the chromatographic peak whose peak time difference with the preset peak time of the first component is within a preset range as the first component chromatographic peak corresponding to the first component.

[0179] In some embodiments, the second component chromatographic peak determination module 1405 is used to determine the sliding window corresponding to the second component based on the peak time of the second component, at the initial position of the chromatographic detection data; adjust the position of the sliding window within a preset range, and determine the chromatographic peak in the chromatographic peak located in the sliding window as the second component chromatographic peak corresponding to the second component.

[0180] In some embodiments, the apparatus further comprises: a peak feature determination module and a peak morphology recognition module;

[0181] A peak feature determination module, used to determine the chromatographic peak features of each of the chromatographic peaks;

[0182] A peak morphology recognition module, used to determine peak morphology information based on chromatographic peak characteristics;

[0183] The second component chromatographic peak determination module 1405 is used to adjust the position of the sliding window based on the chromatographic peak characteristics and peak morphology information of the chromatographic peak in the sliding window located at the initial position, and determine the chromatographic peak located in the adjusted sliding window as the second component chromatographic peak corresponding to the second component.

[0184] In some embodiments, the chromatographic peak initial identification module 1402 is used to determine, for each data point in the chromatographic detection data, a first mean and a second mean corresponding to the data point, wherein the first mean is the mean of the signal strengths of a first preset number of data points adjacent to the data point in a first direction, and the second mean is the mean of the signal strengths of a first preset number of data points adjacent to the data point in a second direction, and the first direction is opposite to the second direction; if the signal strength of the data point is greater than the first mean and greater than the second mean, the first preset number is reduced by a first step length, and the step of determining the first mean and the second mean corresponding to the data point is returned; if the first preset number is less than or equal to the first step length, the data point is determined to be a peak point.

[0185] In some embodiments, the apparatus further comprises: a peak feature determination module and a peak filtering module;

[0186] A peak feature determination module, used to determine the chromatographic peak features of each of the chromatographic peaks;

[0187] A peak filtering module is used to remove invalid peaks in the chromatographic peaks based on the chromatographic peak characteristics.

[0188] Each module in the above-mentioned chromatographic peak detection device can be implemented in whole or in part by software, hardware and a combination thereof. Each of the above-mentioned modules can be embedded in or independent of a processor in a computer device in the form of hardware, or can be stored in a memory in a computer device in the form of software, so that the processor can call and execute the operations corresponding to each of the above modules.

[0189] In one embodiment, a computer device is provided. The computer device may be a server, and its internal structure diagram may be as follows: Fig.15 As shown. The computer device includes a processor, a memory and a network interface connected through a system bus. Among them, the processor of the computer device is used to provide computing and control capabilities. The memory of the computer device includes a non-volatile storage medium and an internal memory. The non-volatile storage medium stores an operating system, a computer program and a database. The internal memory provides an environment for the operation of the operating system and the computer program in the non-volatile storage medium. The database of the computer device is used to store data such as chromatographic detection data, the relationship between the peak time of the first component and the peak time of the second component. The network interface of the computer device is used to communicate with an external terminal through a network connection. When the computer program is executed by the processor, a chromatographic peak detection method is implemented.

[0190] In one embodiment, a computer device is provided. The computer device may be a terminal, and its internal structure diagram may be as follows: Fig.16As shown. The computer device includes a processor, a memory, a communication interface, a display screen and an input device connected through a system bus. Among them, the processor of the computer device is used to provide computing and control capabilities. The memory of the computer device includes a non-volatile storage medium and an internal memory. The non-volatile storage medium stores an operating system and a computer program. The internal memory provides an environment for the operation of the operating system and the computer program in the non-volatile storage medium. The communication interface of the computer device is used to communicate with an external terminal in a wired or wireless manner, and the wireless manner can be achieved through WIFI, a mobile cellular network, NFC (near field communication) or other technologies. When the computer program is executed by the processor, a chromatographic peak detection method is implemented. The display screen of the computer device can be a liquid crystal display screen or an electronic ink display screen, and the input device of the computer device can be a touch layer covered on the display screen, or a key, trackball or touchpad set on the computer device shell, or an external keyboard, touchpad or mouse, etc.

[0191] Those skilled in the art will understand that Fig.15 , 16 The structure shown in the figure is only a block diagram of a part of the structure related to the solution of the present application, and does not constitute a limitation on the computer device to which the solution of the present application is applied. The specific computer device may include more or fewer components than those shown in the figure, or combine certain components, or have a different arrangement of components.

[0192] In one embodiment, a computer device is provided, including a memory and a processor, wherein a computer program is stored in the memory, and when the processor executes the computer program, the steps of the method in any of the above embodiments are implemented.

[0193] In one embodiment, a computer-readable storage medium is provided, on which a computer program is stored. When the computer program is executed by a processor, the steps of the method in any of the above embodiments are implemented.

[0194] In one embodiment, a computer program product is provided, comprising a computer program, which implements the steps of the method in any of the above embodiments when executed by a processor.

[0195] It should be noted that the information and data involved in this application (including but not limited to data used for analysis, stored data, displayed data, etc.) are all information and data authorized by the user or fully authorized by all parties.

[0196] Those skilled in the art can understand that all or part of the processes in the above-mentioned embodiment methods can be completed by instructing the relevant hardware through a computer program, and the computer program can be stored in a non-volatile computer-readable storage medium. When the computer program is executed, it can include the processes of the embodiments of the above-mentioned methods. Among them, any reference to the memory, database or other medium used in the embodiments provided in this application can include at least one of non-volatile and volatile memory. Non-volatile memory can include read-only memory (ROM), magnetic tape, floppy disk, flash memory, optical memory, high-density embedded non-volatile memory, resistive random access memory (ReRAM), magnetoresistive random access memory (MRAM), ferroelectric random access memory (FRAM), phase change memory (PCM), graphene memory, etc. Volatile memory can include random access memory (RAM) or external cache memory, etc. As an illustration and not limitation, RAM can be in various forms, such as static random access memory (SRAM) or dynamic random access memory (DRAM). The database involved in each embodiment provided in this application may include at least one of a relational database and a non-relational database. Non-relational databases may include distributed databases based on blockchains, etc., but are not limited to this. The processor involved in each embodiment provided in this application may be a general-purpose processor, a central processing unit, a graphics processor, a digital signal processor, a programmable logic device, a data processing logic device based on quantum computing, etc., but are not limited to this.

[0197] The technical features of the above embodiments may be combined arbitrarily. To make the description concise, not all possible combinations of the technical features in the above embodiments are described. However, as long as there is no contradiction in the combination of these technical features, they should be considered to be within the scope of this specification.

[0198] The above-described embodiments only express several implementation methods of the present application, and the descriptions thereof are relatively specific and detailed, but they cannot be understood as limiting the scope of the present application. It should be pointed out that, for a person of ordinary skill in the art, several variations and improvements can be made without departing from the concept of the present application, and these all belong to the protection scope of the present application. Therefore, the protection scope of the present application shall be subject to the attached claims.

Claims

1. A chromatographic peak detection method, characterized in that: The method comprises: Acquiring chromatographic detection data, wherein the chromatographic detection data includes a reaction time and a corresponding signal intensity; Traversing the chromatographic detection data, and identifying chromatographic peaks in the chromatographic detection data; Based on the preset peak elution time of the first component, determining a first component chromatographic peak in the chromatographic peaks corresponding to the first component; Determine the peak time of the second component associated with the first component based on the peak time of the chromatographic peak of the first component and the relationship between the peak time of the first component and the peak time of the second component; Based on the elution time of the second component, a second component chromatographic peak corresponding to the second component in the chromatographic peaks is determined.

2. The method according to claim 1, characterized in that The step of determining a first component chromatographic peak corresponding to the first component in the chromatographic peaks based on the preset peak elution time of the first component includes: Among the chromatographic peaks, a chromatographic peak whose difference between the peak time and the preset peak time of the first component is within a preset range is determined as a first component chromatographic peak corresponding to the first component.

3. The method according to claim 1, characterized in that The step of determining a second component chromatographic peak corresponding to the second component in the chromatographic peaks based on the peak elution time of the second component comprises: Based on the peak time of the second component, determining the sliding window corresponding to the second component at the initial position of the chromatographic detection data; The position of the sliding window is adjusted within a preset range, and the chromatographic peak located in the sliding window among the chromatographic peaks is determined as the second component chromatographic peak corresponding to the second component.

4. The method according to claim 3, characterized in that After traversing the chromatographic detection data and identifying chromatographic peaks in the chromatographic detection data, the method further includes: determining chromatographic peak characteristics of each chromatographic peak, and determining peak morphology information based on the chromatographic peak characteristics; The step of adjusting the position of the sliding window within a preset range and determining the chromatographic peak located in the sliding window as the second component chromatographic peak corresponding to the second component includes: Based on the chromatographic peak characteristics and peak morphology information of the chromatographic peak within the sliding window located at the initial position, the position of the sliding window is adjusted, and the chromatographic peak located within the adjusted sliding window is determined as the second component chromatographic peak corresponding to the second component.

5. The method according to any one of claims 1 to 4, characterized in that: The traversing the chromatographic detection data and identifying chromatographic peaks in the chromatographic detection data includes: For each data point in the chromatographic detection data, determine a first mean and a second mean corresponding to the data point, wherein the first mean is the mean of the signal strengths of a first preset number of data points adjacent to the data point in a first direction, and the second mean is the mean of the signal strengths of the first preset number of data points adjacent to the data point in a second direction, and the first direction is opposite to the second direction; If the signal strength of the data point is greater than the first mean and greater than the second mean, reduce the first preset number by the first step length, and return to the step of determining the first mean and the second mean corresponding to the data point; If the first preset number is less than or equal to the first step length, the data point is determined to be a peak point.

6. The method according to any one of claims 1 to 4, characterized in that: After identifying the chromatographic peak in the chromatographic detection data, and before determining the chromatographic peak of the first component corresponding to the first component in the chromatographic peak based on the preset peak time of the first component, the method further includes: Determining the chromatographic peak characteristics of each of the chromatographic peaks; Invalid peaks in the chromatographic peaks are removed based on the chromatographic peak characteristics.

7. A chromatographic peak detection device, characterized in that: The device comprises: A data acquisition module, used to acquire chromatographic detection data, wherein the chromatographic detection data includes a reaction time and a corresponding signal intensity; A chromatographic peak initial identification module, used for traversing the chromatographic detection data and identifying chromatographic peaks in the chromatographic detection data; A first component chromatographic peak determination module, configured to determine a first component chromatographic peak corresponding to the first component from the chromatographic peaks based on a preset peak elution time of the first component; a peak time determination module, configured to determine a peak time of a second component associated with the first component based on the peak time of the chromatographic peak of the first component and the relationship between the peak time of the first component and the peak time of the second component; The second component chromatographic peak determination module is used to determine the second component chromatographic peak corresponding to the second component from the chromatographic peaks based on the peak elution time of the second component.

8. A computer device comprising a memory and a processor, wherein the memory stores a computer program, wherein: When the processor executes the computer program, the steps of the method according to any one of claims 1 to 6 are implemented.

9. A computer-readable storage medium having a computer program stored thereon, 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 6 are implemented.

10. A computer program product, comprising 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 6 are implemented.

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