Impurity detection method and device and non-temporary machine readable storage medium

Abstract

The embodiment of the invention provides an impurity detection method and device and a non-temporary machine readable storage medium, and the method comprises the steps: obtaining a chromatogram of a to-be-detected sample, recognizing a main peak and at least one impurity peak in the chromatogram, and obtaining the retention time corresponding to the main peak and the retention time corresponding to the at least one impurity peak; and obtaining the relative retention time corresponding to the at least one impurity peak according to the ratio of the retention time of the at least one impurity peak to the retention time of the main peak. For any impurity peak in the at least one impurity peak, comparing the relative retention time corresponding to the impurity peak with the relative retention time of different impurities pre-stored in an impurity database to obtain a comparison result of the impurity peak; the comparison result contains the target impurity matched with the impurity peak and the attribute information of the target impurity. And outputting an impurity detection result of the to-be-detected sample according to the comparison result of the at least one impurity peak. Impurities in the to-be-detected sample are automatically determined, and the accuracy of an impurity detection result is improved.

Description

Technical Field

[0001] The present application relates to the field of detection technology, and in particular to an impurity detection method, device, and non-transitory machine-readable storage medium. Background Art

[0002] Impurity detection methods are widely used in pharmaceutical, oil, and alcohol production. Detecting impurities in samples allows for timely adjustments to production processes, ensuring sample purity and quality.

[0003] In the traditional impurity detection process, the sample to be tested is first passed through the chromatographic column and detector to obtain a signal-time curve, which is the chromatogram of the sample to be tested. Due to differences in retention characteristics, each component in the sample to be tested forms an independent chromatographic peak in the chromatogram. Among them, the highest chromatographic peak is usually produced by the substance in the sample itself and can be called the main peak. Other chromatographic peaks other than the main peak can usually be considered to be produced by impurities in the sample and can be called impurity peaks. Since the retention time (RT) corresponding to the impurity peaks of different impurities is different, the retention time of the impurity peak in the chromatogram of the sample to be tested is manually identified to determine the impurity corresponding to the impurity peak, so as to complete the impurity detection and analysis of the sample to be tested.

[0004] However, retention time is easily affected by many factors such as chromatographic column aging, fluctuations in mobile phase ratio, and temperature changes, resulting in low accuracy of impurity detection. Summary of the Invention

[0005] Embodiments of the present application provide an impurity detection method, device, and non-transitory machine-readable storage medium to improve the accuracy of impurity detection.

[0006] In a first aspect, an embodiment of the present application provides an impurity detection method, which is applied to an impurity detection device. The method includes:

[0007] Obtaining a chromatogram of the sample to be tested;

[0008] Identifying a main peak and at least one impurity peak in the chromatogram, and obtaining a retention time corresponding to the main peak and a retention time corresponding to the at least one impurity peak;

[0009] Obtaining a relative retention time corresponding to the at least one impurity peak according to a ratio between the retention time of the at least one impurity peak and the retention time of the main peak;

[0010] For any impurity peak among the at least one impurity peak, comparing the relative retention time corresponding to the impurity peak with the relative retention times of different impurities pre-stored in the impurity database to obtain a comparison result of the impurity peak; the comparison result includes the target impurity matched by the impurity peak and the attribute information of the target impurity;

[0011] According to the comparison result of the at least one impurity peak, the impurity detection result of the sample to be tested is output.

[0012] Optionally, comparing the relative retention time corresponding to the impurity peak with the relative retention times of different impurities pre-stored in an impurity database to obtain a comparison result of the impurity peak includes:

[0013] Comparing the relative retention time corresponding to the impurity peak with the relative retention times of different impurities pre-stored in the impurity database, and determining that the target impurity matches the impurity peak if the deviation between the relative retention time of the target impurity in the impurity database and the relative retention time of the impurity peak is not greater than a first preset threshold;

[0014] Obtaining attribute information of the target impurity;

[0015] The attribute information of the target impurity is used as the attribute information of the impurity corresponding to the impurity peak to obtain the comparison result of the impurity peak.

[0016] Optionally, the method further includes:

[0017] If the deviations between the relative retention time of the impurity peak and the relative retention time of the pre-stored impurity are both greater than the first preset threshold, and there is a candidate impurity in the impurity database whose deviation from the relative retention time of the impurity peak is less than a second preset threshold, then acquiring the attribute information of the candidate impurity; the second preset threshold is greater than the first preset threshold;

[0018] Sort the candidate impurities in order of the deviations from small to large to obtain a candidate impurity sequence corresponding to the impurity peak; the candidate impurity sequence includes attribute information of the candidate impurities;

[0019] The candidate impurity sequence is used as the comparison result of the impurity peak.

[0020] Optionally, the method further includes:

[0021] If the deviations between the relative retention time of the impurity peak and the relative retention time of the pre-stored impurity are both greater than the first preset threshold, the relative retention time of the impurity peak is stored in the impurity database as the relative retention time of the impurity peak of the unnamed impurity;

[0022] Determining whether the number of times the unnamed impurity has been stored is not less than a preset number;

[0023] If the storage times of the unnamed impurity is not less than a preset number, impurity suggestion information is output, where the impurity suggestion information includes the relative retention time of the unnamed impurity.

[0024] Optionally, the method further includes:

[0025] Determining the peak area percentage corresponding to the at least one impurity peak according to the chromatogram;

[0026] Determining the content information of the impurity corresponding to the at least one impurity peak according to the percentage of the peak area corresponding to the at least one impurity peak;

[0027] Outputting the impurity detection result of the sample to be tested according to the comparison result of the at least one impurity peak includes:

[0028] The impurity detection result of the sample to be tested is output according to the comparison result of the at least one impurity peak and the content information of the impurity corresponding to the at least one impurity peak.

[0029] Optionally, the impurity detection result includes: a chromatogram annotated with impurities and compliance information of the impurities in the sample to be tested; the method further includes:

[0030] For any impurity peak of the at least one impurity peak, determining compliance information corresponding to the impurity peak based on content information corresponding to the impurity peak and a preset content limit;

[0031] Outputting the impurity detection result of the sample to be tested according to the comparison result of the at least one impurity peak includes:

[0032] Outputting the impurity detection result of the sample to be tested according to the comparison result of the at least one impurity peak and the compliance information corresponding to the at least one impurity peak.

[0033] Optionally, the property information of the target impurity further includes: structural information of the target impurity and / or toxicity information of the target impurity.

[0034] Optionally, the method further includes:

[0035] If the attribute information of the impurity corresponding to the impurity peak includes toxicity information of the impurity corresponding to the impurity peak, and the toxicity information of the impurity corresponding to the impurity peak indicates that the impurity corresponding to the impurity peak is toxic, toxicity warning information is output.

[0036] In a second aspect, an embodiment of the present application provides an impurity detection device, comprising: a memory, a processor, and a communication interface; wherein, executable code is stored on the memory, and when the executable code is executed by the processor, the processor executes the impurity detection method as described in the first aspect.

[0037] In a third aspect, an embodiment of the present application provides a non-temporary machine-readable storage medium, on which executable code is stored. When the executable code is executed by a processor of an impurity detection device, the processor can at least implement the impurity detection method described in the first aspect.

[0038] In a fourth aspect, an embodiment of the present application provides a computer program product, which includes a computer program. When the computer program is executed by a processor, it can implement the impurity detection method as described in the first aspect.

[0039] In the impurity detection scheme provided in the embodiment of the present application, since the retention time is easily affected by various factors, the relative retention time of the ratio between the retention time of the impurity peak and the retention time of the main peak can offset the influence of various factors, so that the relative retention time is not affected by other factors. Therefore, the relative retention time of the impurity peaks of various impurities relative to the main peak is pre-stored in the impurity database. When impurity detection is performed on the sample to be tested, the relative retention time of each impurity peak relative to the main peak in the chromatogram of the sample to be tested is obtained by the impurity detection equipment, and the relative retention time between each impurity peak and the main peak is compared with the relative retention time between the impurities and the main peak pre-stored in the impurity database, so as to automatically and quickly determine the impurities corresponding to each impurity peak in the chromatogram of the sample to be tested, complete the impurity detection of the sample to be tested, improve the accuracy of the impurity detection results, and improve the quality control efficiency. BRIEF DESCRIPTION OF THE DRAWINGS

[0040] In order to more clearly illustrate the technical solutions in the embodiments of the present application, a brief introduction will be given below to the drawings required for use in the description of the embodiments. Obviously, the drawings described below are some embodiments of the present application. For ordinary technicians in this field, other drawings can be obtained based on these drawings without any creative work.

[0041] Figure 1 A flowchart of an impurity detection method provided in an embodiment of the present application;

[0042] Figure 2 A schematic flow chart of another impurity detection method provided in an embodiment of the present application;

[0043] Figure 3 This is a schematic structural diagram of an impurity detection device provided in this embodiment. DETAILED DESCRIPTION

[0044] In order to make the purpose, technical solutions and advantages of the embodiments of the present application clearer, the technical solutions in the embodiments of the present application will be clearly and completely described below in conjunction with the drawings in the embodiments of the present application. Obviously, the described embodiments are part of the embodiments of the present application, not all of the embodiments. Based on the embodiments in this application, all other embodiments obtained by ordinary technicians in this field without making creative work are within the scope of protection of this application. In addition, the step timing in the following method embodiments is only an example and not a strict limitation.

[0045] It should be noted that, in the case where the embodiments of the present application involve user information, the user information (including but not limited to user device information, user personal information, etc.) and data (including but not limited to data used for analysis, stored data, displayed data, etc.) involved in the embodiments of the present application are all information and data authorized by the user or fully authorized by all parties, and the collection, use and processing of relevant data need to comply with the relevant laws, regulations and standards of the relevant countries and regions, and provide corresponding operation entrances for users to choose to authorize or refuse. In addition, the various models involved in this application (including but not limited to large language models or other models) are in compliance with relevant laws and standards.

[0046] First, the terms or concepts involved in the embodiments of this application are explained:

[0047] Chromatogram: refers to the image of the detection signal distribution of the components of the sample to be tested over time. The sample to be tested flows through the chromatographic column and the detector, and the resulting signal-time curve is also called the chromatographic elution curve. The vertical axis of the chromatogram is the response signal of the detector, and the horizontal axis is time, volume or distance. Each component forms an independent chromatographic peak due to differences in retention characteristics. The peak value of each chromatographic peak represents an independent compound, and its formation process is jointly affected by the properties of the compound, the type of chromatographic column and the mobile phase conditions. Among them, the chromatogram can be obtained by methods such as gas chromatography or liquid chromatography, which is not limited in this application.

[0048] Retention time: This refers to the time from the start of injection to the peak concentration of a component after column chromatography. This refers to the time from the start of injection to the peak of a component's chromatographic peak. This is called the retention time of the component and is expressed as RT, usually in minutes. Retention time can also be called retention value.

[0049] Relative Retention Time (RRT): The ratio of the retention time of a component to the retention time of the corresponding standard.

[0050] Impurity detection methods are widely used in fields such as pharmaceuticals, oil products, and alcoholic beverages. In practical applications, taking the alcoholic beverage industry as an example, different batches of alcoholic beverages need to be tested for impurities to ensure their purity and quality. Optionally, each batch of alcoholic beverage can be sampled to obtain a test sample. The test sample is then analyzed for components using a chromatogram. Components in the alcoholic beverage other than alcohol and water are considered impurities. The impurity test results obtained from the alcoholic beverage sample are used as the impurity test results for that batch of alcoholic beverages.

[0051] An embodiment of the present application provides an impurity detection method. Since the retention time is easily affected by various factors, the relative retention time of the ratio between the retention time of the impurity peak and the retention time of the main peak can offset the influence of various factors, so that the relative retention time is not affected by other factors. Therefore, the relative retention time of the impurity peaks of various impurities relative to the main peak is pre-stored in the impurity database. When performing impurity detection on the sample to be tested, the relative retention time of each impurity peak relative to the main peak in the chromatogram of the sample to be tested is obtained by the impurity detection equipment, and the relative retention time between each impurity peak and the main peak is compared with the relative retention time between the impurity and the main peak pre-stored in the impurity database, so as to automatically and quickly determine the impurities corresponding to each impurity peak in the chromatogram of the sample to be tested, complete the impurity detection of the sample to be tested, improve the accuracy of the impurity detection results, and improve the quality control efficiency.

[0052] The following describes the impurity detection method provided in the embodiment of the present application. Optionally, the impurity detection method provided in the embodiment of the present application is performed by an impurity detection device.

[0053] Figure 1 A flowchart of an impurity detection method provided in an embodiment of the present application is shown in FIG. Figure 1 As shown, the method includes the following steps:

[0054] 101. Obtain a chromatogram of the sample to be tested.

[0055] 102. Identify a main peak and at least one impurity peak in the chromatogram, and obtain a retention time corresponding to the main peak and a retention time corresponding to the at least one impurity peak.

[0056] 103. Obtain a relative retention time corresponding to the at least one impurity peak based on a ratio between the retention time of the at least one impurity peak and the retention time of the main peak.

[0057] 104. For any impurity peak among the at least one impurity peak, compare the relative retention time corresponding to the impurity peak with the relative retention times of different impurities pre-stored in the impurity database to obtain a comparison result of the impurity peak; the comparison result includes the target impurity matched by the impurity peak and the attribute information of the target impurity.

[0058] 105. Output an impurity detection result of the sample to be tested based on the comparison result of at least one impurity peak.

[0059] In practical applications, the sample to be tested can be obtained by sampling a batch of products during production, or it can be other samples that need to be measured, and this application does not limit this.

[0060] A chromatogram of the sample to be tested is obtained by chromatography. Alternatively, a chromatogram of the sample to be tested can be obtained by a chromatograph. In this application, the data carried in the chromatogram, i.e., the data of the corresponding relationship between the signal and time, for example, ultraviolet (UV) detector signal, mass spectrometry data, etc., are referred to as a chromatogram.

[0061] From the obtained chromatogram of the sample to be tested, the main peak and impurity peaks can be identified. The peak with the highest peak height in the chromatogram is the main peak, which generally reflects the substance contained in the sample to be tested. Peaks other than the main peak can be considered impurity peaks, reflecting the impurity content in the sample to be tested.

[0062] Optionally, a peak detection algorithm, such as a derivative method, a Gaussian fitting method, etc., can be used to automatically identify the main peak and impurity peaks in the chromatogram, and obtain the retention time of the main peak and the retention time of the impurity peak.

[0063] In an optional embodiment, while using a peak detection algorithm to identify the main peak and impurity peaks in a chromatogram, parameters such as peak area and peak height can also be obtained for each chromatographic peak. Specifically, parameters such as peak area and peak height for the main peak and peak area and peak height for the impurity peak can be obtained. Peak height refers to the vertical distance from the highest point of the chromatographic peak to the baseline. Peak area refers to the area of ​​the region formed by the chromatographic peak and the baseline.

[0064] In an optional embodiment, after the chromatogram of the sample to be tested is identified, impurity peaks other than the main peak may not be identified. If impurity peaks are not identified, no subsequent processing is performed, and an impurity detection result indicating that no impurities are currently detected in the sample to be tested is directly output.

[0065] Please refer to Table 1, which shows a peak detection result provided in an embodiment of the present application. The peak detection result shown in Table 1 can be obtained by processing the chromatogram using a wind detection algorithm. In Table 1, since the chromatographic peak numbered 4 has the highest peak height and the largest peak area, it can be determined to be the main peak. Correspondingly, the other chromatographic peaks are impurity peaks. The peak area percentage of a chromatographic peak refers to the ratio of the chromatographic peak to the sum of the peak areas of all chromatographic peaks.

[0066] Table 1. Peak detection results provided by the embodiment of the present application

[0067]

[0068]

[0069] After identifying the chromatogram of the sample to be tested, if at least one impurity peak is identified, it is necessary to determine the impurities corresponding to the at least one impurity peak.

[0070] The retention time of a chromatographic peak is easily affected by various factors, that is, the retention time of an impurity peak is easily affected by various factors, resulting in different retention times for the same impurity. If the retention time of an impurity peak is used to determine the impurity corresponding to the impurity peak, the accuracy is not high. Since in the chromatogram of the sample to be tested, various factors affect the retention time of the impurity peak while also having a corresponding impact on the main peak, the relative retention time of the ratio between the retention time of the impurity peak and the retention time of the main peak can offset the influence of various factors, so that the relative retention time is not affected by other factors. Therefore, the following processing is performed on each impurity peak in at least one impurity peak: the ratio between the retention time of the impurity peak and the retention time of the main peak is calculated to obtain the relative retention time corresponding to the impurity peak. The relative retention time corresponding to the impurity peak is compared with the relative retention time of the pre-stored impurities stored in the impurity database to obtain a comparison result of the impurity peak.

[0071] Among them, the impurity database is a pre-established database. The attribute information of different impurities is pre-stored in the impurity database. In this application, the different impurities pre-stored in the impurity database can be referred to as pre-stored impurities. The attribute information of pre-stored impurities refers to information that can reflect the material properties of the pre-stored impurities. Among them, the attribute information of pre-stored impurities includes the relative retention time of pre-stored impurities. Optionally, the attribute information of pre-stored impurities can also include but is not limited to: identification information of pre-stored impurities and the toxicity of pre-stored impurities and / or the structural formula of pre-stored impurities, etc. The identification information refers to information that can identify the type of the impurity, for example, it can be the name of the known impurity, or it can be numbering information for numbering the known impurities, or other information.

[0072] The relative retention time corresponding to the impurity peak is compared with the relative retention times of pre-stored impurities in the impurity database. A target impurity that matches the impurity peak is identified from the pre-stored impurities, and the attribute information of the target impurity is used as the attribute information of the impurity corresponding to the impurity peak. Thus, an impurity peak comparison result including the attribute information of the target impurity that matches the impurity peak is obtained. For example, if the relative retention time of a pre-stored impurity A is equal to the relative retention time corresponding to the impurity peak, then the impurity corresponding to the impurity peak can be considered to be the same impurity as the pre-stored impurity A.

[0073] Based on the comparison results of all impurity peaks, an impurity detection result of the sample to be tested is generated. The impurity detection result includes the comparison result of at least one impurity peak.

[0074] Output the impurity detection result. Optionally, the impurity detection result can be displayed on a display connected to the impurity detection device. The impurity detection result can also be passed. Optionally, the impurity detection result can be in the form of a report.

[0075] In an optional embodiment, the impurity detection result may also include information of the sample to be tested, such as batch information, production time, detection time, etc. of the sample to be tested.

[0076] In summary, through the scheme provided by the above-mentioned embodiment of the present application, since the retention time is easily affected by various factors, the relative retention time of the ratio between the retention time of the impurity peak and the retention time of the main peak can offset the influence of various factors, so that the relative retention time is not affected by other factors. Therefore, the relative retention time of the impurity peaks of various impurities relative to the main peak is pre-stored in the impurity database. When impurity detection is performed on the sample to be tested, the relative retention time of each impurity peak relative to the main peak in the chromatogram of the sample to be tested is obtained by the impurity detection equipment, and the relative retention time between each impurity peak and the main peak is compared with the relative retention time between the impurities and the main peak pre-stored in the impurity database, so as to automatically and quickly determine the impurities corresponding to each impurity peak in the chromatogram of the sample to be tested, complete the impurity detection of the sample to be tested, improve the accuracy of the impurity detection results, and improve the quality control efficiency.

[0077] In some embodiments, in step 104, the relative retention time of the impurity peak can be compared with the relative retention time of the pre-stored impurities according to a preset comparison rule to obtain a comparison result.

[0078] In one possible scenario, the preset comparison rule may be set as follows: if the relative retention time of the target impurity is the same as the relative retention time of the impurity peak, then the target impurity is determined to match the impurity peak. The attribute information of the target impurity is obtained from the impurity database. The attribute information of the target impurity is used as the attribute information of the impurity corresponding to the impurity peak to obtain the impurity peak comparison result.

[0079] It should be noted that the relative retention times in the attribute information of different impurities pre-stored in the impurity database have set significant digits, and the relative retention time of the obtained impurity peak also retains the same significant digits. For example, if the significant digits of the relative retention times in the attribute information of different impurities pre-stored in the impurity database are set to 2 or more decimal places, the relative retention time of the obtained impurity peak also retains 2 or more decimal places as significant digits. For example, if the ratio of the retention time of the impurity peak to the retention time of the main peak is 0.752134, the relative retention time of the impurity peak is 0.75.

[0080] In another possible situation, the preset comparison rule can be set as follows: if the deviation between the relative retention time of the target impurity and the relative retention time of the impurity peak is not greater than the first preset threshold, the target impurity is determined to match the impurity peak. The attribute information of the target impurity is obtained from the impurity database. The attribute information of the target impurity is used as the attribute information of the impurity corresponding to the impurity peak to obtain the comparison result of the impurity peak. Among them, the first preset threshold is a pre-set value. Since the relative retention times of impurity peaks produced by different substances may be relatively close, the first preset threshold needs to be set smaller so that the deviation between the relative retention time of the target impurity and the relative retention time of the impurity peak is small enough, that is, it can be determined that the target impurity matches the impurity peak. The first preset threshold can be set based on experience. For example, the first preset threshold can be 0.01.

[0081] In some scenarios, there is no target impurity matching the impurity peak in the impurity database. In one possible implementation, it is possible to determine whether there is a candidate impurity in the impurity database whose relative retention time deviation from the impurity peak is less than a second preset threshold. The second preset threshold is a pre-set value greater than the first preset threshold. When it is impossible to accurately determine the target impurity matching the impurity peak, the attribute information of the candidate impurity can be obtained from the impurity database, and the candidate impurities can be sorted in order from small to large according to the deviation to obtain a candidate impurity sequence corresponding to the impurity peak. The candidate impurity sequence is used as the comparison result of the impurity peak. The user can refer to the candidate impurity sequence to analyze the impurity corresponding to the impurity peak.

[0082] Furthermore, if there is no target impurity matching the impurity peak in the impurity database and no candidate impurity, the impurity corresponding to the impurity peak can be considered to be a substance not currently stored in the impurity database and can be called an unnamed impurity. The relative retention time of the impurity peak stored in the impurity database is the relative retention time of the impurity peak of the unnamed impurity.

[0083] In another possible implementation, if the target impurity matching the impurity peak does not exist in the impurity database, there is no need to determine whether the candidate impurity exists in the current impurity database. The impurity corresponding to the impurity peak can be considered to be a substance not currently stored in the impurity database and can be called an unnamed impurity. The relative retention time of the impurity peak stored in the impurity database is the relative retention time of the impurity peak of the unnamed impurity.

[0084] In an optional embodiment, after storing an unnamed impurity in the impurity database, the unnamed impurities stored in the impurity database during the current period may be output at a preset period. Alternatively, the unnamed impurity may be output immediately after detection. Furthermore, after each storage of an unnamed impurity, it may be determined whether the number of times the unnamed impurity has been stored is not less than a preset number. If the number of times the unnamed impurity has been stored is not less than the preset number, indicating that the unnamed impurity occurs frequently in the sample to be tested, impurity recommendation information may be output, including the relative retention time of the unnamed impurity.

[0085] Optionally, the user can suggest information for the impurity and confirm what kind of substance the unnamed impurity is, thereby storing its attribute information in the impurity database to enrich the impurities pre-stored in the impurity database.

[0086] Based on any of the above embodiments, further, after the impurity peak in the chromatogram is identified, the content of the impurity corresponding to the impurity peak can be determined through the chromatogram. The method of obtaining the content of the impurity corresponding to the impurity peak is described in detail below.

[0087] See also Figure 2 , Figure 2 This is a flow chart of another impurity detection method provided in an embodiment of the present application. The method provided in this embodiment includes the following steps:

[0088] 201. Obtain a chromatogram of the sample to be tested.

[0089] 202. Identify a main peak and at least one impurity peak in the chromatogram, and obtain a retention time corresponding to the main peak and a retention time corresponding to the at least one impurity peak.

[0090] 203. Obtain a relative retention time corresponding to the at least one impurity peak based on a ratio between the retention time of the at least one impurity peak and the retention time of the main peak.

[0091] 204. For any impurity peak among the at least one impurity peak, compare the relative retention time corresponding to the impurity peak with the relative retention times of different impurities pre-stored in the impurity database to obtain a comparison result of the impurity peak; the comparison result includes the target impurity matched by the impurity peak and attribute information of the target impurity.

[0092] 205. Determine the peak area percentage corresponding to at least one impurity peak based on the chromatogram.

[0093] 206. Determine the content information of the impurity corresponding to the at least one impurity peak based on the percentage of the peak area corresponding to the at least one impurity peak.

[0094] 207. Output an impurity detection result of the sample to be tested based on the comparison result of the at least one impurity peak and the content information of the impurity corresponding to the at least one impurity peak.

[0095] Among them, steps 201-204 are similar to the steps in the above embodiment and will not be repeated here.

[0096] In this embodiment, the peak area percentage corresponding to at least one identified impurity peak can be determined from the chromatogram. Optionally, if a peak detection algorithm is used, parameters such as the area of ​​each chromatographic peak and the peak area percentage can be obtained while obtaining the main peak and impurity peaks. For example, reference can be made to the example shown in Table 1.

[0097] For any impurity peak among the at least one impurity peak, determine the impurity content information corresponding to the impurity peak based on the peak area percentage of the impurity peak. The impurity content information corresponding to the impurity peak refers to the content of the impurity corresponding to the impurity peak in the sample to be tested.

[0098] Outputting an impurity detection result of the sample to be tested based on the comparison result of the at least one impurity peak and the impurity content information corresponding to the at least one impurity peak. The impurity detection result of the sample to be tested includes the comparison result of the at least one impurity peak and the impurity content information corresponding to the at least one impurity peak.

[0099] It should be noted that there is no particular order in which steps 202 to 204 and steps 205 to 206 are performed. Figure 2 The execution order in is only an example and does not constitute a limitation to this application.

[0100] In this embodiment, the impurity content corresponding to the impurity peak is determined by the peak area percentage of the impurity peak, so that the impurity content information corresponding to the impurity peak is included in the output impurity detection result of the sample to be tested, so that the user can clearly understand the impurity situation in the sample to be tested.

[0101] In an optional embodiment, the content of different impurities in the sample to be tested is subject to certain prescribed restrictions. If the impurity content exceeds the prescribed content limit, the sample to be tested may have problems such as quality not meeting the requirements. Therefore, after obtaining the content of impurities in the sample to be tested, it is possible to further determine whether the content of impurities complies with the regulations based on the preset content limit. After obtaining the content information of the impurity corresponding to the missing impurity peak in step 206, the compliance information corresponding to the impurity peak can be determined based on the content information corresponding to the impurity peak and the preset content limit. The compliance information can be compliant or non-compliant. For example, if the content information corresponding to the impurity peak exceeds the preset content limit, the compliance information corresponding to the impurity peak is determined to be non-compliant; if the content information corresponding to the impurity peak does not reach the preset content limit, the compliance information corresponding to the impurity peak is determined to be compliant. Thus, the compliance information corresponding to the impurity peak is included in the output impurity detection result of the sample to be tested, so that the user can clearly and quickly understand the impurity situation in the sample to be tested.

[0102] In an optional embodiment, the attribute information of the target impurity further includes toxicity information of the target impurity. The toxicity information of the target impurity is used to indicate whether the target impurity is toxic.

[0103] Furthermore, if the toxicity information included in the attribute information of the target impurity matching the impurity peak indicates that the target impurity is toxic, a toxicity warning message is output. This toxicity warning message indicates the presence of toxic impurities in the sample being tested. Thus, upon receiving this toxicity warning message, users can promptly identify the cause of the toxic substance in the product currently being produced and adjust production accordingly.

[0104] In an optional embodiment, the property information of the target impurity further includes: structural information of the target impurity. Optionally, the structural information of the target impurity may be a structural formula of the target impurity.

[0105] In an optional embodiment, the attribute information of the impurity corresponding to the impurity peak can be marked in the chromatogram. For example, the marked attribute information can be: impurity A: RRT 0.32, degradation product.

[0106] In an optional embodiment, the comparison results and / or content information of the impurity peaks of the current sample to be tested can be compared with the comparison results and / or content information of the impurity peaks in historical batches. If the data show abnormal fluctuations, the abnormal fluctuation information is output in the impurity detection results of the sample to be tested. This allows statistical analysis based on the data of the sample to be tested and historical batches, facilitating optimization of production processes, etc.

[0107] Figure 3 A schematic diagram of the structure of an impurity detection device provided in an embodiment of the present application is shown in FIG. Figure 3As shown, in practice, the impurity detection device includes: a memory 21 and a processor 22.

[0108] The memory 21 is configured to store computer programs and may be configured to store various other data to support operations on the foreign matter detection device. Examples of such data include instructions for any application or method operating on the foreign matter detection device, data structures, contact data, phone book data, messages, images, videos, etc.

[0109] The processor 22 is coupled to the memory 21 and is configured to execute the computer program in the memory 21 to implement the impurity detection method provided in the aforementioned embodiment.

[0110] Further, if Figure 3 As shown, the impurity detection device also includes: a communication component 23, a display 24, a power supply component 25, an audio component 26 and other components. Figure 3 Only some components are shown schematically, which does not mean that the impurity detection equipment only includes Figure 3 The impurity detection device of this embodiment can be implemented as a terminal device such as a desktop computer, a laptop computer, a smart phone or an IOT device, or as a server device such as a conventional server, a cloud server or a server array.

[0111] The above-mentioned memory can be implemented by any type of volatile or non-volatile memory device or a combination thereof, such as static random-access memory (SRAM), electrically erasable programmable read-only memory (EEPROM), erasable programmable read-only memory (EPROM), programmable read-only memory (PROM), read-only memory (ROM), magnetic memory, flash memory, magnetic disk or optical disk.

[0112] The communication component is configured to facilitate wired or wireless communication between the device in which the communication component resides and other devices. The device in which the communication component resides can access a wireless network based on a communication standard, such as a 2G, 3G, 4G / LTE, 5G, or other mobile communication network, or a combination thereof. In an exemplary embodiment, the communication component receives broadcast signals or broadcast-related information from an external broadcast management system via a broadcast channel.

[0113] The above-mentioned display includes a screen, which may include a liquid crystal display (LCD) and a touch panel (TP). If the screen includes a touch panel, the screen may be implemented as a touch screen to receive input signals from the user. The touch panel includes one or more touch sensors to sense touch, slide, and gestures on the touch panel. The touch sensor can not only sense the boundary of the touch or slide action, but also detect the duration and pressure associated with the touch or slide operation.

[0114] The power supply assembly provides power to various components of the device in which the power supply assembly is located. The power supply assembly may include a power management system, one or more power supplies, and other components associated with generating, managing, and distributing power to the device in which the power supply assembly is located.

[0115] The above-mentioned audio component can be configured to output and / or input audio signals. For example, the audio component includes a microphone (MIC), and when the device where the audio component is located is in an operating mode, such as call mode, recording mode, and voice recognition mode, the microphone is configured to receive external audio signals. The received audio signal can be further stored in a memory or sent via a communication component. In some embodiments, the audio component also includes a speaker for outputting audio signals.

[0116] Accordingly, an embodiment of the present application further provides a computer-readable storage medium storing a computer program, which, when executed by a processor, enables the processor to implement the steps in the above method embodiment. The computer-readable storage medium includes volatile or non-volatile or a combination thereof, and may be removable or non-removable. Examples of computer-readable storage media include, but are not limited to, phase-change random access memory (PRAM), static random access memory (SRAM), dynamic random access memory (DRAM), other types of random access memory (RAM), read-only memory (ROM), electrically erasable programmable read-only memory (EEPROM), erasable programmable read-only memory (EPROM), programmable read-only memory (PROM), flash memory or other memory technology, CD-ROM, digital versatile disc (DVD) or other optical storage, magnetic cassette, tape disk storage or other magnetic storage device or any other non-transmission medium.

[0117] Accordingly, the present application embodiment also provides a computer program product, which includes a computer program or instructions. When the computer program or instructions are executed by a processor, the processor is enabled to implement the steps in the above-mentioned method embodiment. It should be understood that each process or a combination of multiple processes in the above-mentioned method flow can be implemented by a computer program or instruction. In addition, these computer programs or instructions can be applied to a processor of a general-purpose computer, a special-purpose computer, an embedded processor or other programmable data processing device, so that the processor of the general-purpose computer, the special-purpose computer, the embedded processor or other programmable data processing device can be implemented as a device for implementing the corresponding functions in the above-mentioned method embodiment.

[0118] 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 them. 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 method for detecting impurities, characterized in that: Applied to impurity detection equipment, the method comprises: Obtaining a chromatogram of the sample to be tested; Identifying a main peak and at least one impurity peak in the chromatogram, and obtaining a retention time corresponding to the main peak and a retention time corresponding to the at least one impurity peak; Obtaining a relative retention time corresponding to the at least one impurity peak according to a ratio between the retention time of the at least one impurity peak and the retention time of the main peak; For any impurity peak among the at least one impurity peak, comparing the relative retention time corresponding to the impurity peak with the relative retention times of different impurities pre-stored in the impurity database to obtain a comparison result of the impurity peak; the comparison result includes the target impurity matched by the impurity peak and the attribute information of the target impurity; According to the comparison result of the at least one impurity peak, the impurity detection result of the sample to be tested is output.

2. The method according to claim 1, characterized in that The step of comparing the relative retention time corresponding to the impurity peak with the relative retention times of different impurities pre-stored in the impurity database to obtain the comparison result of the impurity peak comprises: Comparing the relative retention time corresponding to the impurity peak with the relative retention times of different impurities pre-stored in the impurity database, and determining that the target impurity matches the impurity peak if the deviation between the relative retention time of the target impurity in the impurity database and the relative retention time of the impurity peak is not greater than a first preset threshold; Obtaining attribute information of the target impurity; The attribute information of the target impurity is used as the attribute information of the impurity corresponding to the impurity peak to obtain the comparison result of the impurity peak.

3. The method according to claim 2, characterized in that The method further comprises: If the deviations between the relative retention time of the impurity peak and the relative retention time of the pre-stored impurity are both greater than the first preset threshold, and there is a candidate impurity in the impurity database whose deviation from the relative retention time of the impurity peak is less than a second preset threshold, then acquiring the attribute information of the candidate impurity; the second preset threshold is greater than the first preset threshold; Sort the candidate impurities in order of the deviations from small to large to obtain a candidate impurity sequence corresponding to the impurity peak; the candidate impurity sequence includes attribute information of the candidate impurities; The candidate impurity sequence is used as the comparison result of the impurity peak.

4. The method according to claim 2, characterized in that The method further comprises: If the deviations between the relative retention time of the impurity peak and the relative retention time of the pre-stored impurity are both greater than the first preset threshold, the relative retention time of the impurity peak is stored in the impurity database as the relative retention time of the impurity peak of the unnamed impurity; Determining whether the number of times the unnamed impurity has been stored is not less than a preset number; If the storage times of the unnamed impurity is not less than a preset number, impurity suggestion information is output, where the impurity suggestion information includes the relative retention time of the unnamed impurity.

5. The method according to claim 1, wherein The method further comprises: Determining the peak area percentage corresponding to the at least one impurity peak according to the chromatogram; Determining the content information of the impurity corresponding to the at least one impurity peak according to the percentage of the peak area corresponding to the at least one impurity peak; Outputting the impurity detection result of the sample to be tested according to the comparison result of the at least one impurity peak includes: The impurity detection result of the sample to be tested is output according to the comparison result of the at least one impurity peak and the content information of the impurity corresponding to the at least one impurity peak.

6. The method according to claim 5, characterized in that The impurity detection result includes: a chromatogram with impurities marked and compliance information of the impurities in the sample to be tested; the method further includes: For any impurity peak of the at least one impurity peak, determining compliance information corresponding to the impurity peak based on content information corresponding to the impurity peak and a preset content limit; Outputting the impurity detection result of the sample to be tested according to the comparison result of the at least one impurity peak includes: Outputting the impurity detection result of the sample to be tested according to the comparison result of the at least one impurity peak and the compliance information corresponding to the at least one impurity peak.

7. The method according to any one of claims 1 to 6, characterized in that The property information of the target impurity also includes: structural information of the target impurity and / or toxicity information of the target impurity.

8. The method according to claim 7, characterized in that The method further comprises: If the attribute information of the impurity corresponding to the impurity peak includes toxicity information of the impurity corresponding to the impurity peak, and the toxicity information of the impurity corresponding to the impurity peak indicates that the impurity corresponding to the impurity peak is toxic, toxicity warning information is output.

9. An impurity detection device, characterized in that: include: A memory, a processor, and a communication interface; wherein the memory stores executable code, and when the executable code is executed by the processor, the processor executes the impurity detection method according to any one of claims 1 to 8.

10. A non-transitory machine-readable storage medium, characterized in that The non-transitory machine-readable storage medium stores executable code, and when the executable code is executed by a processor of an impurity detection device, the processor is caused to perform the impurity detection method according to any one of claims 1 to 8.

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