Chromatographic peak signal processing methods, systems, and computer-readable storage media

By identifying characteristic points of chromatographic peaks and segmenting the baselines of overlapping peaks within a time window, the problem of inaccurate baseline plotting in existing technologies is solved, achieving higher precision chromatographic analysis.

CN120847320BActive Publication Date: 2026-01-06HANGZHOU CHUNLAI TECH
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Patent Information

Application Number
CN202511374258.2
Authority / Receiving Office
CN · China
Patent Type
Patents(China)
Current Assignee / Owner
Filing Date
2025-09-25
Publication Date
2026-01-06
Estimated Expiration
2045-09-25

AI Technical Summary

Technical Problem

Existing technologies do not produce accurate baselines when dealing with overlapping chromatographic peaks, leading to a decrease in the precision of chromatographic analysis.

Method used

By identifying characteristic points of chromatographic peaks within a time window, segmenting the baselines of overlapping peaks, determining the baseline segmentation point using the valley point location, and removing interfering peaks by combining peak width processing, accurate baseline plotting is achieved.

Benefits of technology

It improves the precision of chromatographic analysis, especially when dealing with overlapping peaks, as baseline processing is more accurate and peak area calculation is more precise.

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Abstract

The present application belongs to the technical field of detection and analysis, and particularly relates to a chromatographic peak signal processing method and system and a computer readable storage medium. A time window for chromatographic peak recognition is selected based on a chromatogram, and feature point searching of the chromatographic peak is sequentially performed in the time window to obtain a chromatographic peak list; wherein the feature points include a start point, a top point, a valley point and an end point, and the chromatographic peak list includes a single peak and an overlapping peak composed of a plurality of continuous peaks; baseline drawing and peak area calculation are respectively performed on the single peak and the overlapping peak; in the baseline drawing process of the single peak and the overlapping peak, baseline correction of the overlapping peak is performed according to whether the valley point is below the line connecting the start point and the end point of the overlapping peak. The present application can effectively distinguish the single peak and the overlapping peak, and the baseline processing of the overlapping peak is more accurate, which can effectively improve the accuracy of chromatographic analysis.
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Description

Technical Field

[0001] This invention belongs to the field of detection and analysis technology, specifically relating to a chromatographic peak signal processing method, system, and computer-readable storage medium. Background Technology

[0002] Chromatographic signals are often presented in the form of peaks. A standard peak includes a start point, a apex, and an end point. Current logic for chromatographic signal processing first identifies the characteristic points (start point, apex, and end point) of the peak through a slope threshold. Then, the apex of the peak is used as the basis for qualitative analysis of the components, and the area enclosed by the line connecting the start and end points of the peak and the peak shape curve is used as the basis for quantitative analysis. However, this logic only works well for processing single peaks and is not applicable to processing overlapping peaks. Summary of the Invention

[0003] Based on the aforementioned shortcomings and deficiencies in the existing technology, the purpose of this invention is to provide a chromatographic peak signal processing method, system, and computer-readable storage medium.

[0004] To achieve the above-mentioned objectives, the present invention adopts the following technical solution:

[0005] A method for processing chromatographic peak signals includes the following steps:

[0006] S1. Select a time window for chromatographic peak identification based on the chromatogram, and search for the characteristic points of the chromatographic peaks in sequence within the time window to obtain a list of chromatographic peaks; wherein, the characteristic points include the start point, the apex point, the valley point and the end point, and the list of chromatographic peaks includes single peaks and overlapping peaks composed of several consecutive peaks;

[0007] S2. Perform baseline plotting and peak area calculation for single peaks and overlapping peaks respectively;

[0008] The overlapping peaks consist of N peaks arranged in sequence, where N is a positive integer greater than 1; the baseline plotting of the overlapping peaks includes the following steps:

[0009] S21. Draw the initial baseline segment of the overlapping peaks with the starting point of the first peak and the ending point of the Nth peak. Determine whether there is any valley point from the first valley point to the (N-1)th valley point of the overlapping peaks located below the initial baseline segment. If yes, proceed to step S22. If no, draw a perpendicular line downward with each valley point as the cutting point to divide the initial baseline segment and obtain the baselines corresponding to the N peaks.

[0010] S22. Determine if N-1 is 1; if yes, connect the starting point of the first peak, the valley point, and the ending point of the second peak in sequence to obtain the baselines corresponding to the first and second peaks; if no, proceed to step S23.

[0011] S23. Move the Nth peak to the temporary overlapping peak, and continue to draw the baseline segment with the starting point of the first peak of the overlapping peak and the N-1th valley point. Determine whether there is any valley point below the baseline segment from the first valley point to the N-2th valley point of the overlapping peak. If yes, go to step S22. If no, draw a vertical line downward with each valley point as the cutting point to divide the initial baseline segment and obtain the baselines corresponding to the N-1 peaks. Go to step S24.

[0012] S24. Determine if the number of peaks in the temporary overlapping peaks is 1. If yes, connect the (N-1)th valley point with the end point of the Nth peak to obtain the baselines corresponding to the N peaks. If no, process the temporary overlapping peaks in steps S21 to S23 until the baselines corresponding to the N peaks are obtained.

[0013] As a preferred embodiment, in step S2, before drawing baselines for the single peaks and overlapping peaks respectively, peak width processing is performed on the single peaks and overlapping peaks respectively to remove interfering peaks.

[0014] As a preferred embodiment, the process of processing the peak width of overlapping peaks includes the following steps:

[0015] S201. For each of the M peaks included in the overlapping peaks, perform left half-peak width processing, and determine whether there exists a left half-peak width W for the j-th peak. L The first objective condition is met: Where M is an integer greater than or equal to N, j∈[1,M], and W is a preset peak width threshold;

[0016] If yes, and j is 1, then delete the first peak in the sorting order, and adjust the order of other peaks in sequence, then proceed to step S202; if yes, and j is not 1, then merge the j-th peak into the (j-1)-th peak, adjust the end point of the (j-1)-th peak to the end point of the j-th peak, and adjust the order of other peaks in sequence, then proceed to step S202; if no, then proceed to step S202.

[0017] S202. After processing in step S201, process the right half-peak width of the remaining K peaks in sequential order, and determine whether there is a right half-peak width W for the k-th peak. R The second objective condition is met: Where K is an integer less than or equal to M, and k∈[1,K];

[0018] If so, and k is K, then delete the peak at position K in the sorting; if so, and k is not K, then merge the kth peak into the (k+1)th peak, adjust the starting point of the (k+1)th peak to the starting point of the kth peak, and adjust the sorting of other peaks in a progressive manner.

[0019] As a preferred embodiment, the process of processing the peak width of a single peak includes:

[0020] Determine the width W of the left half peak L The width of the right half-peak is W R Does it meet the following conditions:

[0021] and Where W is the preset peak width threshold;

[0022] If so, delete the single peak.

[0023] As a preferred embodiment, before step S1, the method further includes: filtering the chromatographic data of the chromatogram to obtain filtered chromatographic data.

[0024] As a preferred embodiment, step S1, the search for characteristic points of the chromatographic peaks, includes:

[0025] The first derivative of the filtered chromatographic data is calculated to obtain the slope curve;

[0026] Feature points are found based on the slope curve and preset positive and negative slope thresholds.

[0027] As a preferred embodiment, the process of calculating the first derivative of the chromatographic data of the filtered chromatogram includes:

[0028] The slope corresponding to the target sampling point is obtained by calculating the first derivative of several consecutive sampling points before and after the target sampling point.

[0029] As a preferred embodiment, the process of finding the starting point includes:

[0030] ;

[0031] in, The slope is the positive threshold. For the first One sampling point, Sampling points The slope of Q, where Q is an integer, Q∈[2,5];

[0032] Then sampling points The starting point of the peak;

[0033] The vertex search process includes:

[0034] After determining the starting point of the peak, search backward within the time window for the left boundary point of the peak, satisfying the following condition:

[0035] ;

[0036] Then sampling points Let be the initial left boundary point of the vertex;

[0037] After determining the left boundary point of the vertex, search backward within the time window for either the left shoulder peak point or the right boundary point of the vertex.

[0038] If the following conditions are met:

[0039] ;

[0040] Then sampling points For the left shoulder peak point of the peak, remove the initial left boundary point of the vertex and find the left boundary point of the vertex again;

[0041] If the following conditions are met:

[0042] ;in, The slope is the negative threshold;

[0043] Then sampling points Let be the right boundary point of the vertex;

[0044] Take the highest point between the left and right boundary points of the vertex as the vertex;

[0045] The process of finding the endpoint includes:

[0046] After determining the right boundary point of the vertex, search backward within the time window for a provisional end point that satisfies the following condition:

[0047] ;

[0048] Then sampling points The endpoint is set as a provisional point, and then the determination of the endpoint, right shoulder peak, or valley point continues within the preset overlapping peak time interval:

[0049] If the following conditions are met:

[0050] ;

[0051] Then sampling points The current peak and its next peak are considered overlapping peaks. The lowest point between the current peak's provisional end point and the next peak's provisional starting point is taken as the valley point.

[0052] If the following conditions are met:

[0053] ;

[0054] Then sampling points If the point is the right shoulder peak, then remove the provisional end point and search for a new provisional end point;

[0055] If neither the provisional starting point of the next peak nor the right shoulder peak of the current peak is found within the preset overlapping peak time interval, then the provisional ending point is the ending point of the current peak, and the current peak is a single peak.

[0056] The present invention also provides a chromatographic peak signal processing system, which applies the chromatographic peak signal processing method as described in any of the preceding embodiments, wherein the chromatographic peak signal processing system comprises:

[0057] The selection module is used to select the time window for chromatographic peak identification based on the chromatogram.

[0058] The search module is used to sequentially search for characteristic points of chromatographic peaks within a time window to obtain a list of chromatographic peaks. The characteristic points include the start point, apex point, valley point, and end point. The list of chromatographic peaks includes single peaks and overlapping peaks composed of several consecutive peaks.

[0059] The baseline plotting module is used to plot baselines for single peaks and overlapping peaks respectively.

[0060] The calculation module is used to calculate the peak area.

[0061] The present invention also provides a computer-readable storage medium storing instructions, characterized in that, when the instructions are executed on a computer, the computer performs the chromatographic peak signal processing method as described in any of the preceding embodiments.

[0062] Compared with the prior art, the beneficial effects of this invention are:

[0063] The chromatographic peak signal processing method, system, and computer-readable storage medium of the present invention, in the process of drawing the baselines of single peaks and overlapping peaks, corrects the baseline of overlapping peaks based on whether the valley point is below the line connecting the start and end points of the overlapping peaks, making the baseline processing of overlapping peaks more accurate and effectively improving the precision of chromatographic analysis. Attached Figure Description

[0064] Figure 1 This is a flowchart of the chromatographic peak signal processing method of Embodiment 1 of the present invention;

[0065] Figure 2 This is a flowchart of peak width processing in Embodiment 1 of the present invention;

[0066] Figure 3 This is a flowchart of baseline drawing in Embodiment 1 of the present invention;

[0067] Figure 4 This is a schematic diagram of baseline segmentation in Embodiment 1 of the present invention;

[0068] Figure 5 This is a comparison example of the baseline segment before and after correction in Embodiment 1 of the present invention;

[0069] Figure 6 This is another comparative example of the baseline segment before and after correction in Embodiment 1 of the present invention;

[0070] Figure 7 This is a baseline comparison diagram of Embodiment 1, Comparative Example 1, and Comparative Example 2 of the present invention. Detailed Implementation

[0071] To more clearly illustrate the embodiments of the present invention, specific implementation methods will be described below with reference to the accompanying drawings. Obviously, the drawings described below are merely some embodiments of the present invention. For those skilled in the art, other drawings and other implementation methods can be obtained based on these drawings without any creative effort.

[0072] Example 1:

[0073] like Figure 1 As shown, the chromatographic peak signal processing method in this embodiment uses a positive slope threshold and a negative slope threshold to determine the characteristic points of the peaks, including the start point, apex, valley point, and end point. It determines whether a peak is overlapping by checking whether the distance between the end point of the previous peak and the start point of the next peak is within the range of overlapping peak spacing. Then, small impurity peaks are removed by peak width processing, and the peaks constituting the overlapping peaks are reordered. Next, the baselines of the single peaks and overlapping peaks are drawn. The baseline of the overlapping peaks is corrected according to whether the valley point is below the line connecting the start point and the end point of the overlapping peak (baseline). Finally, the peak area is calculated.

[0074] Specifically, the chromatographic peak signal processing method of this embodiment includes the following steps:

[0075] (1) Filter the chromatographic data of the chromatogram to obtain the filtered chromatographic data.

[0076] (2) Calculate the first derivative (hereinafter referred to as slope) of the filtered chromatographic data to obtain the slope curve corresponding to the chromatogram. Since the chromatogram is a discrete data set, the slope of a certain sampling point cannot be obtained directly by taking the derivative. Therefore, the slope is calculated by using the chromatographic data of multiple consecutive sampling points before and after the sampling point to be calculated, such as four consecutive points before and after. The specific calculation of the slope of the chromatographic data can be referred to the existing technology, which will not be elaborated here.

[0077] (3) Select the time window for chromatographic peak identification and set the slope positive threshold. Negative threshold of slope Peak width threshold W and overlapping peak time interval Δt.

[0078] (4) Within each time window, the characteristic points (including the start point, apex point, valley point and end point) of the chromatographic peaks are searched sequentially to obtain a list of chromatographic peaks;

[0079] Step 1: Find the starting point;

[0080] Within each time window, search backwards to find the starting point. If a starting point is found that satisfies the following conditions:

[0081] ;

[0082] in, The slope is the positive threshold. For the first One sampling point, Sampling points The slope of Q, where Q is an integer, Q∈[2,5]; as an example, Q takes the value 5;

[0083] Then the sampling points As the starting point A of the current peak;

[0084] Step 2: Vertex search;

[0085] After finding the starting point A of the current peak, we can search backwards within the time window for the left boundary point of the current peak's vertex. If a point is found that satisfies the following conditions:

[0086] ;

[0087] Then the sampling points The initial left boundary point B is the vertex of the current peak.

[0088] After finding the left boundary point B of the vertex, you can search backward within the time window for the left shoulder peak or the right boundary point of the vertex. If found, the following conditions must be met:

[0089] ;

[0090] Then the sampling points As the left shoulder peak point D of the current peak, remove the initial left boundary point of the vertex and find the left boundary point of the vertex again according to the above method.

[0091] If the following conditions are met:

[0092] ;in, The slope is the negative threshold;

[0093] Then the sampling points Let C be the right boundary point of the current peak's vertex;

[0094] Take the highest point between the left boundary point B and the right boundary point C of the vertex as the vertex.

[0095] Step 3: Finding valley points and end points;

[0096] After finding the right boundary point of the vertex, we can search backwards within the time window for the provisional end point E. If the following conditions are met:

[0097] ;

[0098] Then the sampling points As a provisional end point, the determination of the end point, right shoulder peak, or valley point continues within the preset overlapping peak time interval Δt:

[0099] If the following conditions are met:

[0100] ;

[0101] Then the sampling points As the provisional starting point G of the next peak after the current peak, meaning the current peak and its next peak are overlapping peaks, the lowest point between the provisional ending point E of the current peak and the provisional starting point G of the next peak is taken as the valley point. The vertex and ending point of the next peak in the overlapping peaks are then detected again following the steps described above. Furthermore, the current peak and the next peak are numbered: the current peak is numbered 0, and the next peak is numbered 1. If other overlapping peaks are found consecutively during this round of peak finding, the peak numbers need to be continuously updated, as shown in Table 1.

[0102] Table 1 List of chromatographic peaks

[0103] ;

[0104] As shown in Table 1, the number "0" represents a single peak. When the number "0" is followed by a value larger than the number "0", it is a group of overlapping peaks. It can be seen that the peaks with serial numbers 1, 2, 6, and 13 are single peaks; the peaks with serial numbers 3, 4, and 5 are the first group of overlapping peaks; the peaks with serial numbers 7, 8, 9, and 10 are the second group of overlapping peaks; and the peaks with serial numbers 11 and 12 are the third group of overlapping peaks.

[0105] If the following conditions are met:

[0106] ;

[0107] Then the sampling points If H is the right shoulder peak point, then remove the provisional end point E and find the true provisional end point again using the method described above.

[0108] In addition, if the provisional starting point of the next peak and the right shoulder peak point H of the current peak are not found within the preset overlapping peak time interval Δt, then the provisional ending point E is the ending point of the current peak, and the current peak is a single peak, numbered "0".

[0109] Among all the peaks identified above, some small peaks are interference peaks and need to be discarded. Therefore, the following peak width processing is required.

[0110] (5) Peak width processing;

[0111] like Figure 2 As shown, first, the peak width threshold W is obtained, and the left half peak width W of the current peak to be processed is... L and the width of the right half peak W R Then, different processing methods are applied depending on whether the peak is single-peaked or overlapping:

[0112] a) For the peak width processing of a single peak, if the width of the left half peak is W L The width of the right half-peak is W R A single peak is deleted if the following conditions are met:

[0113] and ;

[0114] Among them, the width of the left half peak is W L The time distance from the starting point to the apex of the peak, and the width W of the right half of the peak. R The time distance from the peak to the end point;

[0115] b) For peak width processing of overlapping peaks, the specific steps include:

[0116] S201. For each of the M peaks included in the overlapping peaks, perform left half-peak width processing, and determine whether there exists a left half-peak width W for the j-th peak. L The first objective condition is met: Where M is an integer greater than 1, j∈[1,M], and W is a preset peak width threshold;

[0117] If yes, and j is 1, specifically determined by the peak number as "0", then delete the first peak in the sorting order, and adjust the order of other peaks sequentially, proceeding to step S202; if yes, and j is not 1, specifically determined by the peak number as not "0", then merge the j-th peak into the (j-1)-th peak, adjust the end point of the (j-1)-th peak to the end point of the j-th peak, and adjust the order of other peaks sequentially, that is, decrease the peak number by one value, proceeding to step S202; if no, proceed to step S202.

[0118] S202. After processing in step S201, process the right half-peak width of the remaining K peaks in sequential order, and determine whether there is a right half-peak width W for the k-th peak.R The second objective condition is met: Where K is an integer less than or equal to M, and k∈[1,K];

[0119] If so, and k is K, specifically determined by the peak number as "K-1", then delete the peak in the Kth position of the sort; if so, and k is not K, then the kth peak is merged into the (k+1)th peak, the starting point of the (k+1)th peak is adjusted to the starting point of the kth peak, and the sorting of other peaks is adjusted progressively, that is, the peak number is reduced by one value.

[0120] After the peak width processing described above, the overlapping peaks consist of N peaks arranged in sequence, where N is a positive integer less than K.

[0121] (6) Baseline drawing;

[0122] i) Baseline plotting for single peaks;

[0123] Draw the baseline segment of the signal peak with the start and end points of the signal peak.

[0124] ii) such as Figure 3 As shown, baseline plotting for overlapping peaks includes the following steps:

[0125] S21. Draw the initial baseline segment of the overlapping peaks using the starting point of the first peak and the ending point of the Nth peak. Determine if any valley point from the first valley point to the (N-1)th valley point of the overlapping peaks lies below the initial baseline segment. If yes, proceed to step S22. If no, draw perpendicular lines downwards from each valley point to divide the initial baseline segment, obtaining the baselines corresponding to the N peaks. For example, ... Figure 4 As shown, the valley point O of the two peaks is located above the initial baseline segment X. Therefore, a vertical line is drawn downwards directly from the valley point to divide the initial baseline segment and obtain the baselines of the two peaks.

[0126] S22. Determine if N-1 is 1; if yes, connect the starting point of the first peak, the valley point, and the ending point of the second peak in sequence to obtain the baselines corresponding to the first and second peaks; if no, proceed to step S23.

[0127] S23. Move the Nth peak to the temporary overlapping peak, and continue to draw the baseline segment with the starting point of the first peak of the overlapping peak and the N-1th valley point. Determine whether there is any valley point below the baseline segment from the first valley point to the N-2th valley point of the overlapping peak. If yes, go to step S22. If no, draw a vertical line downward with each valley point as the cutting point to divide the initial baseline segment and obtain the baselines corresponding to the N-1 peaks. Go to step S24.

[0128] S24. Determine if the number of peaks in the temporary overlapping peaks is 1. If yes, connect the (N-1)th valley point with the end point of the Nth peak to obtain the baselines corresponding to the N peaks. If no, process the temporary overlapping peaks in steps S21 to S23 until the baselines corresponding to the N peaks are obtained.

[0129] As an example, such as Figure 5 As shown, for the two peaks numbered "0" and "1", their valleys are located on the initial baseline segment of the overlapping peaks. Therefore, connecting the starting point and the valley is used as the baseline for peak number "0", and connecting the valley and the ending point is used as the baseline for peak number "1". Peak number "1" is then adjusted to peak number "0". For example, ... Figure 6 As shown, for the four peaks numbered "0", "1", "2", and "3", after the above correction process, a vertical line is drawn downwards from valley point 1, dividing the baseline segment connecting the starting point and valley point 2, which are used as the baselines for peaks numbered "0" and "1" respectively; valley point 3 is connected to valley point 2 and the ending point, so connecting valley point 2 and valley point 3 is used as the baseline for peak numbered "2", and connecting valley point 3 and the ending point is used as the baseline for peak numbered "3", and peaks numbered "2" and "3" are adjusted to peak number "0".

[0130] (7) Peak area calculation;

[0131] The peak area of ​​the chromatographic peak is calculated based on the chromatographic peak curve, baseline, start point, and end point. The specific calculation method can be found in existing technology and will not be elaborated here.

[0132] Based on the above-described chromatographic peak signal processing method, this embodiment also provides a chromatographic peak signal processing system, including the following functional modules: selection module, search module, baseline plotting module, and calculation module;

[0133] The above selection module is used for the time window of chromatographic peak identification based on chromatogram selection;

[0134] The above-mentioned search module is used to sequentially search for characteristic points of chromatographic peaks within a time window to obtain a list of chromatographic peaks; wherein, the characteristic points include the start point, the apex point, the valley point and the end point, and the list of chromatographic peaks includes single peaks and overlapping peaks composed of several consecutive peaks;

[0135] The baseline plotting module described above is used to plot baselines for single peaks and overlapping peaks, respectively.

[0136] The above calculation module is used to calculate the peak area;

[0137] The specific processing procedures for the above functional modules can be found in the detailed description of the above chromatographic peak signal processing method, and will not be repeated here.

[0138] This embodiment also provides a computer-readable storage medium storing instructions. When the instructions are executed on a computer, the computer performs the above-described chromatographic peak signal processing method, thereby realizing intelligent chromatographic peak signal processing.

[0139] Comparative Example 1:

[0140] The difference between the chromatographic peak signal processing method in this comparative example and that in Example 1 is that the baseline determination method for overlapping peaks is different, that is, the overlapping peaks are treated as single peaks in the chromatographic peak processing method.

[0141] Specifically, each peak of the overlapping peaks is treated as a single peak, that is, the starting point of the first peak, all valley points and the ending point of the last peak are connected in sequence to serve as the baseline of each peak.

[0142] The other steps are the same as in Example 1.

[0143] Comparative Example 2:

[0144] The difference between the chromatographic peak signal processing method in this comparative example and that in Example 1 is that the baseline determination method for overlapping peaks is different, that is, no baseline correction for overlapping peaks is performed.

[0145] Specifically, the baseline segment is obtained by connecting the starting point of the first peak with the ending point of the last peak. Then, perpendicular lines are drawn with each valley point as the cutting point to divide the baseline segment and obtain the baseline of each peak.

[0146] The other steps are the same as in Example 1.

[0147] As examples, the baseline processing methods of Example 1, Comparative Example 1, and Comparative Example 2 are compared. Figure 7 As shown.

[0148] The chromatographic peak signal processing method of this embodiment was applied to practical applications. Four components that are difficult to separate by gas chromatography—ethylbenzene, p-xylene, m-xylene, and o-xylene—were selected for verification testing to validate the accuracy of the chromatographic peak signal processing method.

[0149] Prepare single-component standard gases: 2 μmol / mol ethylbenzene standard gas; 2 μmol / mol p-xylene standard gas; 2 μmol / mol m-xylene standard gas; 2 μmol / mol o-xylene standard gas;

[0150] Prepare a multi-component standard gas: 2 μmol / mol ethylbenzene + 2 μmol / mol p-xylene + 2 μmol / mol m-xylene + 2 μmol / mol o-xylene standard gas;

[0151] Single-component and multi-component standard gases were separately introduced into a gas chromatograph for detection. Three different peak processing methods were used to process the multi-component standard gas spectra, and the peak areas of the processed spectra were compared with those of the single-component standard gas spectra. The test results are shown in Table 2.

[0152] Table 2 Test results of Example 1, Comparative Example 1, and Comparative Example 2

[0153] ;

[0154] As shown in Table 2, the peak areas of the components obtained by the peak processing method in Example 1 of the present invention are closer to the peak areas of a single component, which effectively improves the accuracy of chromatographic analysis.

[0155] The above description is merely a detailed explanation of preferred embodiments and principles of the present invention. For those skilled in the art, there may be changes in specific implementation methods based on the ideas provided by the present invention, and these changes should also be considered within the scope of protection of the present invention.

Claims

1. A method of processing a chromatographic peak signal, characterized by, The method comprises the following steps: S1. Selecting a time window for chromatographic peak identification based on a chromatogram, and sequentially searching for feature points of chromatographic peaks in the time window to obtain a chromatographic peak list; wherein the feature points include a start point, a top point, a valley point, and an end point, and the chromatographic peak list includes single peaks and overlapping peaks composed of a plurality of continuous peaks; S2. Drawing a baseline and calculating a peak area for the single peaks and the overlapping peaks respectively; Among them, overlapping peaks include those ordered in sequence. N One peak N The baseline plotting of overlapping peaks includes the following steps: (The value is a positive integer greater than 1.) S21, taking the starting point of the first peak of the overlapping peak and the... N Draw the initial baseline segment of the overlapping peaks from the end point of each peak, and determine the first valley point of the overlapping peak to the [missing information]. N -1. Does any valley point lie below the initial baseline segment? If yes, proceed to step S22; otherwise, draw perpendicular lines downwards from each valley point to divide the initial baseline segment, obtaining... N The baseline corresponding to each peak; S22, judging N -1 is 1; if yes, the start point of the first peak, the valley point and the end point of the second peak are sequentially connected to obtain the baseline corresponding to the first peak and the second peak; if no, go to step S23; S23, the first N The peaks are moved to temporary overlapping peaks, continuing from the starting point of the first peak of the overlapping peaks and the second peak. N -1 valley points are used to draw the baseline segment, and the first valley point of the overlapping peak is used to determine the overlapping peak. N - Does any of the two valley points lie below the baseline segment? If yes, proceed to step S22; if not, draw perpendicular lines downwards from each valley point to divide the initial baseline segment, obtaining... N -1 peak corresponding to the baseline, proceed to step S24; S24. Determine if the number of temporarily stored overlapping peaks is 1; if so, then... N -1 valley point and the first N Connecting the endpoints of each peak, we obtain... N If the peak corresponds to a baseline, then the temporarily stored overlapping peaks are processed according to steps S21 to S23 until the baseline is obtained. N The baseline corresponding to each peak; Before drawing the baseline for the single peaks and the overlapping peaks respectively in the step S2, the single peaks and the overlapping peaks are respectively subjected to peak width processing to delete interference peaks; The process of the peak width processing for the overlapping peaks comprises the following steps: S201、performing left half peak width processing on each of the sequentially ordered peaks included in the overlapping peak to determine whether a left half peak width of the first peak exists M j W L satisfies the first target condition: ; wherein, M is an integer greater than or equal to N , j ∈ [1, M ], W is a preset peak width threshold value;​​ Yes, and j If 1, delete the first peak in the order, and adjust the order of other peaks in turn, and go to step S202; Yes, and j If not 1, the first j Peak is merged into the first j -1 peak, the end point of the first j -1 peak is adjusted to the end point of the first j Peak, and the order of other peaks is adjusted in turn, and go to step S202; No, go to step S202; S202. Sort the remaining items after step S201 in sequence. K Each peak is processed by adjusting the right half-peak width to determine if a peak exists. k The width of the right half of the peak W R The second objective condition is met: ;in, K Less than or equal to M integers, k ∈[1, K ]; Yes, and k For K , delete the peak at the K th position; yes, and k not K , merge the peak at the k th position to the peak at the k +1th position, adjust the start point of the peak at the k +1th position to the start point of the peak at the k th position, and adjust the sequence of other peaks in turn. The process of the peak width processing for the single peaks comprises: determining whether the left half peak width W L the right half peak width W R whether the following condition is satisfied: and ; wherein, W is a preset peak width threshold; If yes, the single peak is deleted.

2. The method of claim 1, wherein, Before the step S1, the chromatographic data of the chromatogram is subjected to filtering processing to obtain filtered chromatographic data.

3. The method of claim 2, wherein, In the step S1, the searching for the feature points of the chromatographic peaks comprises: performing first derivative calculation on the filtered chromatographic data to obtain a slope curve; performing feature point searching according to the slope curve and preset positive and negative slope thresholds.

4. The method of claim 3, wherein, The process of the first derivative calculation on the filtered chromatographic data comprises: performing first derivative calculation on a plurality of continuous sampling points before and after a target sampling point to obtain a slope corresponding to the target sampling point.

5. A chromatographic peak signal processing system applying the chromatographic peak signal processing method according to any one of claims 1 to 4, characterized in that, The chromatographic peak signal processing system comprises: a selecting module configured to select a time window for chromatographic peak identification based on a chromatogram; a searching module configured to sequentially search for feature points of chromatographic peaks in the time window to obtain a chromatographic peak list; wherein the feature points include a start point, a top point, a valley point, and an end point, and the chromatographic peak list includes single peaks and overlapping peaks composed of a plurality of continuous peaks; a baseline drawing module configured to draw a baseline for the single peaks and the overlapping peaks respectively; a calculating module configured to calculate a peak area.

6. A computer-readable storage medium having stored therein instructions, the computer-readable storage medium comprising: When the instructions run on the computer, the computer performs the chromatographic peak signal processing method according to any one of claims 1-4.

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