Raman spectroscopy signal denoising method, medium, device and apparatus

Abstract

The application discloses a Raman spectrum analysis signal denoising method, medium, equipment and device, wherein the method comprises the following steps: detecting a target solution and a solvent respectively to obtain a target solution function and a solvent solution function; calculating a corresponding solute function based on a first parameter, a second parameter, and the mean value of the first parameter and the second parameter, wherein the solute function is a quadratic function; obtaining the a value corresponding to each solute function, and judging whether the a values corresponding to all solute functions are positive values or negative values; if not, adjusting the first parameter or the second parameter according to the a value corresponding to each solute function based on the dichotomy to determine the final parameter; and performing the fitting of the final Raman spectrum analysis signal according to the final parameter. The method can effectively remove the noise of the Raman spectrum signal, and improve the extraction success rate and extraction effect of the Raman spectrum signal.

Description

Technical Field

[0001] This application relates to the field of spectral signal analysis technology, and in particular to a method, medium, equipment and apparatus for denoising Raman spectral analysis signals. Background Technology

[0002] Raman spectroscopy is a non-destructive analytical technique based on the interaction between light and the chemical bonds within a material. It can provide detailed information about the chemical structure, phase and morphology, crystallinity, and molecular interactions of a sample. Due to its advantages of being non-invasive, non-destructive, and radiation-free, Raman spectroscopy is currently mainly used in the fields of substance identification and materials analysis.

[0003] When using Raman spectroscopy for substance identification and material analysis, noise is always present in the signal, obscuring part of the spectral signal and making the peak information of the Raman spectrum unclear. Therefore, denoising is necessary to extract the accurate spectral signal from the noise during spectral signal analysis. Related techniques employ wavelet denoising and SG filters for spectral signal denoising. However, these methods are only suitable for spectral signals with relatively weak noise and are not effective for spectral signals with low signal-to-noise ratios; furthermore, they are not good at removing environmental noise. Summary of the Invention

[0004] This invention aims to at least partially solve one of the technical problems in related technologies. Therefore, one objective of this invention is to propose a Raman spectroscopy signal denoising method that can effectively remove noise from Raman spectral signals, thereby improving the success rate and extraction effect of Raman spectral signals.

[0005] In a first aspect, the present invention proposes a method for denoising Raman spectroscopy analysis signals, comprising the following steps: detecting the target solution and the solvent respectively to obtain the target solution function and the solvent solution function; calculating the corresponding dissolved substance function based on the target solution function and the solvent solution function according to a first parameter, a second parameter, and the mean of the first parameter and the second parameter, wherein the dissolved substance function is a quadratic function; obtaining the 'a' value corresponding to each dissolved substance function, and determining whether all 'a' values ​​corresponding to all dissolved substance functions are positive or all 'a' values ​​corresponding to all dissolved substance functions are negative; if not, adjusting the first parameter or the second parameter according to the 'a' value corresponding to each dissolved substance function based on a bisection method to determine the final parameter; and fitting the final Raman spectral analysis signal according to the final parameter.

[0006] According to the Raman spectroscopy signal denoising method of the present invention, firstly, the target solution and solvent are detected separately to obtain the target solution function and solvent solution function; then, based on the target solution function and the solvent solution function, the corresponding dissolved substance function is calculated according to a first parameter, a second parameter, and the mean of the first parameter and the second parameter, respectively, wherein the dissolved substance function is a quadratic function; then, the 'a' value corresponding to each dissolved substance function is obtained, and it is determined whether all 'a' values ​​corresponding to the dissolved substance functions are positive or all 'a' values ​​corresponding to the dissolved substance functions are negative; then, if not, the first parameter or the second parameter is adjusted according to the 'a' value corresponding to each dissolved substance function based on a bisection method to determine the final parameter; then, the final Raman spectral analysis signal is fitted according to the final parameter. This method can effectively remove noise from Raman spectral signals, improving the success rate and extraction effect of Raman spectral signals.

[0007] In some embodiments, the dissolved substance function is calculated using the following formula:

[0008] y t1 =k h *y1-y0

[0009] y t2 =k l *y1-y0

[0010]

[0011] Among them, y t1 The first parameter represents the function of the dissolved substance, y1 represents the function of the target solution, and y0 represents the function of the solvent solution. t2 The second parameter represents the function of the dissolved substance, y. t3 k represents the dissolved substance function corresponding to the mean of the first and second parameters. h Indicates the first parameter, k l Indicates the second parameter. This represents the mean of the first and second parameters.

[0012] In some embodiments, if the value of 'a' corresponding to all dissolved substances is positive or the value of 'a' corresponding to all dissolved substances is negative, then either the first parameter or the second parameter is randomly selected as the final parameter. In some embodiments, adjusting the first parameter or the second parameter based on the value of 'a' corresponding to each dissolved substance function using a bisection method to determine the final parameter includes: determining whether the value of 'a' corresponding to the dissolved substance function of the second parameter and the value of 'a' corresponding to the dissolved substance function of the average of the first parameter and the second parameter are both negative or both positive; if so, updating the second parameter based on the average of the first parameter and the second parameter, calculating the average of the updated second parameter and the first parameter, and calculating the corresponding dissolved substance function based on the average of the updated second parameter and the first parameter; determining whether the absolute value of 'a' corresponding to the dissolved substance function of the average of the updated second parameter and the first parameter is less than a preset threshold; if so, using the average of the updated second parameter and the first parameter as the final parameter; if not, calculating the corresponding dissolved substance function based on the updated second parameter and the first parameter respectively, and continuing to adjust the first parameter or the second parameter using the bisection method until the absolute value of 'a' corresponding to the dissolved substance function of the average of the adjusted second parameter and the first parameter is less than the preset threshold.

[0013] In some embodiments, if the value of 'a' in the dissolved substance function corresponding to the second parameter and the value of 'a' in the dissolved substance function corresponding to the average of the first and second parameters are positive and negative respectively, then the first parameter is updated according to the average of the first and second parameters, and the average of the updated first and second parameters is calculated, and the corresponding dissolved substance function is calculated based on the average of the updated second and first parameters; it is determined whether the absolute value of 'a' in the dissolved substance function corresponding to the average of the updated second and first parameters is less than a preset threshold; if yes, then the average of the updated second and first parameters is used as the final parameter; if no, then the corresponding dissolved substance function is calculated based on the second parameter and the updated first parameter respectively, and the first or second parameter is adjusted based on the dichotomy method until the absolute value of 'a' in the dissolved substance function corresponding to the average of the adjusted second and first parameters is less than the preset threshold.

[0014] Secondly, the present invention proposes a computer-readable storage medium storing a Raman spectroscopy signal denoising program thereon, which, when executed by a processor, implements the Raman spectroscopy signal denoising method as described above.

[0015] According to an embodiment of the present invention, a computer-readable storage medium stores a Raman spectral analysis signal denoising program, so that when a processor executes the Raman spectral analysis signal denoising program, it implements the Raman spectral analysis signal denoising method as described above, thereby effectively removing noise from the Raman spectral signal and improving the success rate and extraction effect of the Raman spectral signal.

[0016] Thirdly, the present invention proposes a computer device, including a memory, a processor, and a computer program stored in the memory and executable on the processor, wherein when the processor executes the program, it implements the Raman spectroscopy analysis signal denoising method as described above.

[0017] According to the computer device of the present invention, a Raman spectral analysis signal denoising program is stored in a memory, so that when the processor executes the Raman spectral analysis signal denoising program, the Raman spectral analysis signal denoising method described above is implemented, thereby effectively removing noise from the Raman spectral signal and improving the success rate and extraction effect of the Raman spectral signal.

[0018] Fourthly, this invention proposes a Raman spectroscopy signal denoising device, comprising: an acquisition module for detecting a target solution and a solvent respectively to obtain a target solution function and a solvent solution function; a calculation module for calculating a corresponding dissolved substance function based on the target solution function and the solvent solution function according to a first parameter, a second parameter, and the mean of the first parameter and the second parameter, wherein the dissolved substance function is a quadratic function; a judgment module for acquiring the 'a' value corresponding to each dissolved substance function and judging whether all 'a' values ​​corresponding to all dissolved substance functions are positive or all 'a' values ​​corresponding to all dissolved substance functions are negative; an adjustment module for adjusting the first parameter or the second parameter based on a bisection method according to the 'a' value corresponding to each dissolved substance function when not all 'a' values ​​are positive or negative, to determine the final parameter; and a fitting module for fitting the final Raman spectral analysis signal according to the final parameter.

[0019] In some embodiments, the dissolved substance function is calculated using the following formula:

[0020] y t1 =k h *y1-y0

[0021] y t2 =k l *y1-y0

[0022]

[0023] Among them, y t1 The first parameter represents the function of the dissolved substance, y1 represents the function of the target solution, and y0 represents the function of the solvent solution. t2 The second parameter represents the function of the dissolved substance, y. t3 k represents the dissolved substance function corresponding to the mean of the first and second parameters. h Indicates the first parameter, k l Indicates the second parameter. This represents the mean of the first and second parameters.

[0024] In some embodiments, the adjustment module is further configured to randomly select either the first parameter or the second parameter as the final parameter when all values ​​of 'a' corresponding to the functions of the dissolved substances are positive or all values ​​of 'a' corresponding to the functions of the dissolved substances are negative.

[0025] Additional aspects and advantages of the invention will be set forth in part in the description which follows, and in part will be obvious from the description, or may be learned by practice of the invention. Attached Figure Description

[0026] Figure 1 This is a schematic flowchart of a Raman spectroscopy signal denoising method according to an embodiment of the present invention;

[0027] Figure 2 This is a flowchart illustrating a Raman spectroscopy signal denoising method according to another embodiment of the present invention;

[0028] Figure 3 This is a block diagram of a computer device according to an embodiment of the present invention;

[0029] Figure 4 This is a block diagram of a Raman spectroscopy analysis signal denoising device according to an embodiment of the present invention. Detailed Implementation

[0030] Embodiments of the present invention are described in detail below, examples of which are illustrated in the accompanying drawings, wherein the same or similar reference numerals denote the same or similar elements or elements having the same or similar functions throughout. The embodiments described below with reference to the accompanying drawings are exemplary and intended to explain the present invention, and should not be construed as limiting the present invention.

[0031] The Raman spectroscopy signal denoising method of the present invention is described below with reference to the accompanying drawings.

[0032] Please see Figure 1 , Figure 1 This is a flowchart illustrating a Raman spectroscopy signal denoising method according to an embodiment of the present invention, as shown below. Figure 1As shown, the Raman spectroscopy signal denoising method includes the following steps:

[0033] S101, the target solution and solvent are detected separately to obtain the target solution function and solvent solution function.

[0034] In other words, during the detection process, the target solution and the solvent are detected separately to obtain the target solution image and the solvent solution image; then, the target solution function is obtained from the target solution image, and the solvent solution function is obtained from the solvent solution image.

[0035] It should be noted that, theoretically, subtracting the solvent solution function from the target solution function should yield the function of the dissolved substance; however, due to interfering factors (e.g., noise), this is not the case. Instead, it is y t = k*y1-y0, and different k will result in different y. t This affects the final Raman fitting result; therefore, a reasonable method for determining the value of k is needed to improve the efficiency and rationality of k selection, thereby improving denoising efficiency and Raman fitting effect; while the traditional method for determining k is to calculate y t =k*y1-y0 then observe y t If y t If the shape of y is close to a straight line, then k is considered to meet the requirement. Clearly, this method requires manual adjustment of y. t Observation and judgment are inefficient, and the accuracy of the results cannot be guaranteed due to human uncertainty. At the same time, this method is not quantifiable, and there is a high probability that there is another better value of k than the current value.

[0036] S102, based on the target solution function and the solvent solution function, calculate the corresponding dissolved substance function according to the first parameter, the second parameter, and the mean of the first parameter and the second parameter, respectively, where the dissolved substance function is a quadratic function.

[0037] In some embodiments, the dissolved substance function is calculated using the following formula:

[0038] y t1 =k h *y1-y0

[0039] y t2 =k l *y1-y0

[0040]

[0041] Among them, y t1 The first parameter represents the function of the dissolved substance, y1 represents the function of the target solution, and y0 represents the function of the solvent solution. t2 The second parameter represents the function of the dissolved substance, y.t3 k represents the dissolved substance function corresponding to the mean of the first and second parameters. h Indicates the first parameter, k l Indicates the second parameter. This represents the mean of the first and second parameters.

[0042] As an example, firstly, according to the formula

[0043] y t1 =k h *y1-y0

[0044] y t2 =k l *y1-y0

[0045]

[0046] The dissolved substance function corresponding to the first parameter, the dissolved substance function corresponding to the second parameter, and the dissolved substance function corresponding to the mean of the first and second parameters are calculated respectively; then, y t1 y t2 y t3 Fit to a quadratic function: y tn =a n x 2 +bx+c; attempting to change k h Or k l This causes a3 (the value of a in the dissolved substance function corresponding to the mean of the first and second parameters) to approach zero. At this point, y t2 =a2x 2 +bx+c is a straight line.

[0047] Preferably, considering the cumulative experimental and calculated intensity effects, k can be... h The initial value of k is set to 1.2. l The initial value is set to 0.8; thus, the accuracy (0.4 / 256) can be achieved in 8 calculations using the bisection method, reducing the number of trial calculations and improving efficiency.

[0048] S103, obtain the value of 'a' corresponding to each dissolved substance function, and determine whether the values ​​of 'a' corresponding to all dissolved substance functions are positive or negative.

[0049] In some embodiments, if the value of 'a' corresponding to all dissolved substances is positive or the value of 'a' corresponding to all dissolved substances is negative, then either the first parameter or the second parameter is randomly selected as the final parameter.

[0050] It is understandable that when y t1 yt2 y t3 After fitting the equations into quadratic functions, the sign of 'a' in the three fitted equations can be one of six possibilities: "positive positive negative", "positive negative negative", "negative negative positive", "negative positive positive", "positive positive positive", and "negative negative negative". When the sign of 'a' is "positive positive positive" or "negative negative negative", it indicates that the curves corresponding to the first parameter, the second parameter, and the average of the first and second parameters open in the same direction. In this case, it is sufficient to use either the first or second parameter as the final parameter and fit the final Raman spectral analysis signal based on the final parameter to complete the fitting of the Raman spectral analysis signal.

[0051] S104, if not, then adjust the first or second parameter based on the value of 'a' corresponding to each dissolved substance function using the dichotomy method to determine the final parameter.

[0052] In other words, the first or second parameter is adjusted based on the different values ​​of 'a' corresponding to the function of the dissolved substance, according to the dichotomy method, so as to determine the final parameter based on the adjustment result.

[0053] There are several specific adjustment methods.

[0054] As an example, firstly, assuming the initial state is that the first parameter is 1.2 and the second parameter is 0.8, then the mean of the first and second parameters is 1.0. Next, determine the sign of the value of 'a'. If the sign of a1 (the value of 'a' corresponding to the first parameter), a2 (the value of 'a' corresponding to the second parameter), and a3 (the value of 'a' corresponding to the mean of the first and second parameters) is "positive-negative-negative" or "negative-positive-positive", then the parameter adjustment direction is towards the first parameter. If the sign of a1, a2, and a3 is "negative-negative-positive" or "positive-positive-negative", then the parameter adjustment direction is towards the second parameter. Then, if the parameter adjustment direction is towards the first parameter, let... (That is, the second parameter is updated based on the mean of the first and second parameters), k h If the parameter adjustment direction is towards the second parameter, then let... (That is, the first parameter is updated based on the mean of the first and second parameters), k l The result remains unchanged. Next, the corresponding dissolved substance function is calculated based on the average of the updated first and second parameters; then, it is determined whether the absolute value of the 'a' value of this dissolved substance function is less than a preset threshold (e.g., e). -5 If yes, then the average of the updated first parameter and the second parameter will be used as the final parameter; otherwise, the first parameter or the second parameter will be adjusted according to the above method based on the dichotomy until the absolute value of the a value of the dissolved substance function corresponding to the average of the adjusted second parameter and the first parameter is less than the preset threshold.

[0055] In some embodiments, the first parameter or the second parameter is adjusted based on the value of 'a' corresponding to each dissolved substance function using a bisection method to determine the final parameter. This includes: determining whether the value of 'a' corresponding to the dissolved substance function of the second parameter and the value of 'a' corresponding to the average of the first and second parameters are both negative or both are positive; if so, the second parameter is updated based on the average of the first and second parameters, and the average of the updated second parameter and the first parameter is calculated, as well as the corresponding dissolved substance function is calculated based on the average of the updated second parameter and the first parameter; determining whether the absolute value of 'a' corresponding to the average of the updated second parameter and the first parameter is less than a preset threshold; if so, the average of the updated second parameter and the first parameter is used as the final parameter; if not, the corresponding dissolved substance function is calculated based on the updated second parameter and the first parameter respectively, and the first parameter or the second parameter is adjusted using the bisection method until the absolute value of 'a' corresponding to the average of the adjusted second parameter and the first parameter is less than the preset threshold.

[0056] In some embodiments, if the value of 'a' in the dissolved substance function corresponding to the second parameter and the value of 'a' in the dissolved substance function corresponding to the average of the first and second parameters are positive and negative respectively, then the first parameter is updated according to the average of the first and second parameters, and the average of the updated first and second parameters is calculated, as well as the corresponding dissolved substance function is calculated based on the average of the updated second and first parameters; it is determined whether the absolute value of 'a' in the dissolved substance function corresponding to the average of the updated second and first parameters is less than a preset threshold; if yes, then the average of the updated second and first parameters is used as the final parameter; if no, then the corresponding dissolved substance function is calculated based on the second parameter and the updated first parameter respectively, and the first or second parameter is adjusted based on the bisection method until the absolute value of 'a' in the dissolved substance function corresponding to the average of the adjusted second and first parameters is less than the preset threshold.

[0057] As a specific embodiment of the present invention, such as Figure 2 As shown, the Raman spectroscopy signal denoising method provided in this embodiment of the invention includes the following steps:

[0058] S201, the target solution and solvent are detected separately to obtain the target solution function and solvent solution function.

[0059] S202, calculate k h The corresponding dissolved substance function, k l The corresponding dissolved substance function and k t The corresponding function of the dissolved substance.

[0060] Where, k hIndicates the first parameter, k l This represents the second parameter, k. t This represents the mean of the first and second parameters.

[0061] S203, Determine k h The corresponding values ​​of a and k for the dissolved substance function l The corresponding values ​​of the dissolved substance function a and k t Check whether the values ​​of 'a' for the corresponding dissolved substance function are all negative or all positive; if yes, proceed to step S204; if no, proceed to step S205.

[0062] S204, randomly select k h Or k l One of them is used as the final parameter.

[0063] S205, determine if k l The corresponding values ​​of 'a' and 'k' for the dissolved substance function t The corresponding 'a' values ​​of the dissolved substance function are all negative or all positive; if so, proceed to step S206; otherwise, proceed to step S209.

[0064] S206, according to k l =(k h+ k l Update k by ) / 2 l The value of k h Keep it unchanged and calculate the updated k. t Value, and based on the updated k t The value is used to calculate the corresponding function of the dissolved substance.

[0065] S207, Determine the updated k t Check if the absolute value of the a value of the function of the dissolved substance corresponding to the value is less than a preset threshold; if yes, proceed to step S208; if no, proceed to step S202.

[0066] S208 will update the k t The value is used as the final parameter.

[0067] S209, according to k h =(k h+ k l Update k by ) / 2 h The value of k l Keep it unchanged and calculate the updated k. t Value, and based on the updated k t The value is used to calculate the corresponding function of the dissolved substance.

[0068] S210, determine the updated k tCheck if the absolute value of the a value of the function of the dissolved substance corresponding to the value is less than the preset threshold; if yes, proceed to step S208; if no, proceed to step S202.

[0069] In other words, the first and second parameters are adjusted using a bisection method until the intervals defined by the first and second parameters converge. This process is repeated until the mean k of the first and second parameters is reached. t If the absolute value of the 'a' value of the corresponding dissolved substance function is less than the preset threshold, then the final parameters that meet the requirements can be obtained.

[0070] S105, Fit the final Raman spectral analysis signal based on the final parameters.

[0071] It is understandable that, through the above method, there is no need for human observation of y. t The cancellation mode only requires obtaining the Raman domain of the solvent spectrum to function; furthermore, the bisection method can achieve an accuracy of 0.4 / 256 within 8 calculations, reducing the number of trial calculations and improving efficiency. Moreover, the calculation is quantifiable, and the final parameters obtained are the optimal solution within the required accuracy.

[0072] In summary, the Raman spectroscopy signal denoising method according to embodiments of the present invention firstly detects the target solution and solvent respectively to obtain the target solution function and solvent solution function; then, based on the target solution function and the solvent solution function, the corresponding dissolved substance function is calculated according to a first parameter, a second parameter, and the mean of the first parameter and the second parameter, respectively, wherein the dissolved substance function is a quadratic function; then, the 'a' value corresponding to each dissolved substance function is obtained, and it is determined whether all 'a' values ​​corresponding to the dissolved substance functions are positive or all 'a' values ​​corresponding to the dissolved substance functions are negative; then, if not, the first parameter or the second parameter is adjusted according to the 'a' value corresponding to each dissolved substance function based on a bisection method to determine the final parameter; then, the final Raman spectroscopy signal is fitted according to the final parameter. This method can effectively remove noise from Raman spectral signals, improving the success rate and extraction effect of Raman spectral signals.

[0073] To implement the above embodiments, this invention proposes a computer-readable storage medium storing a Raman spectroscopy signal denoising program thereon. When the Raman spectroscopy signal denoising program is executed by a processor, it implements the Raman spectroscopy signal denoising method as described above.

[0074] According to an embodiment of the present invention, a computer-readable storage medium stores a Raman spectral analysis signal denoising program, so that when a processor executes the Raman spectral analysis signal denoising program, it implements the Raman spectral analysis signal denoising method as described above, thereby effectively removing noise from the Raman spectral signal and improving the success rate and extraction effect of the Raman spectral signal.

[0075] To achieve the above embodiments, such as Figure 3 As shown, an embodiment of the present invention proposes a computer device, which includes a memory 301, a processor 302, and a computer program stored in the memory 301 and executable on the processor 302. When the processor 302 executes the program, it implements the Raman spectroscopy analysis signal denoising method as described above.

[0076] According to the computer device of the present invention, a Raman spectral analysis signal denoising program is stored in a memory, so that when the processor executes the Raman spectral analysis signal denoising program, the Raman spectral analysis signal denoising method described above is implemented, thereby effectively removing noise from the Raman spectral signal and improving the success rate and extraction effect of the Raman spectral signal.

[0077] To achieve the above embodiments, this invention proposes a Raman spectroscopy analysis signal denoising device, such as... Figure 4 As shown, the Raman spectroscopy analysis signal denoising device includes: an acquisition module 10, a calculation module 20, a judgment module 30, an adjustment module 40, and a fitting module 50.

[0078] The acquisition module 10 is used to detect the target solution and the solvent respectively to obtain the target solution function and the solvent solution function;

[0079] The calculation module 20 is used to calculate the corresponding dissolved substance function based on the target solution function and the solvent solution function, respectively, according to the first parameter, the second parameter, and the mean of the first parameter and the second parameter, wherein the dissolved substance function is a quadratic function;

[0080] The judgment module 30 is used to obtain the value of 'a' corresponding to each dissolved substance function, and to determine whether the values ​​of 'a' corresponding to all dissolved substance functions are positive or negative.

[0081] The adjustment module 40 is used to adjust the first parameter or the second parameter based on the bisection method according to the value of a corresponding to each dissolved substance function when the values ​​of 'a' for all dissolved substances are not all positive or all negative, so as to determine the final parameter.

[0082] The fitting module 50 is used to fit the final Raman spectral analysis signal based on the final parameters.

[0083] In some embodiments, the dissolved substance function is calculated using the following formula:

[0084] y t1 =k h *y1-y0

[0085] y t2 =k l *y1-y0

[0086]

[0087] Among them, y t1 The first parameter represents the function of the dissolved substance, y1 represents the function of the target solution, and y0 represents the function of the solvent solution. t2 The second parameter represents the function of the dissolved substance, y. t3 k represents the dissolved substance function corresponding to the mean of the first and second parameters. h Indicates the first parameter, k l Indicates the second parameter. This represents the mean of the first and second parameters.

[0088] In some embodiments, the adjustment module is further configured to randomly select either the first parameter or the second parameter as the final parameter when all values ​​of 'a' corresponding to the functions of the dissolved substances are positive or all values ​​of 'a' corresponding to the functions of the dissolved substances are negative.

[0089] In some embodiments, the first parameter or the second parameter is adjusted based on the value of 'a' corresponding to each dissolved substance function using a bisection method to determine the final parameter. This includes: determining whether the value of 'a' corresponding to the dissolved substance function of the second parameter and the value of 'a' corresponding to the average of the first and second parameters are both negative or both are positive; if so, the second parameter is updated based on the average of the first and second parameters, and the average of the updated second parameter and the first parameter is calculated, as well as the corresponding dissolved substance function is calculated based on the average of the updated second parameter and the first parameter; determining whether the absolute value of 'a' corresponding to the average of the updated second parameter and the first parameter is less than a preset threshold; if so, the average of the updated second parameter and the first parameter is used as the final parameter; if not, the corresponding dissolved substance function is calculated based on the updated second parameter and the first parameter respectively, and the first parameter or the second parameter is adjusted using the bisection method until the absolute value of 'a' corresponding to the average of the adjusted second parameter and the first parameter is less than the preset threshold.

[0090] In some embodiments, if the value of 'a' in the dissolved substance function corresponding to the second parameter and the value of 'a' in the dissolved substance function corresponding to the average of the first and second parameters are positive and negative respectively, then the first parameter is updated according to the average of the first and second parameters, and the average of the updated first and second parameters is calculated, as well as the corresponding dissolved substance function is calculated based on the average of the updated second and first parameters; it is determined whether the absolute value of 'a' in the dissolved substance function corresponding to the average of the updated second and first parameters is less than a preset threshold; if yes, then the average of the updated second and first parameters is used as the final parameter; if no, then the corresponding dissolved substance function is calculated based on the second parameter and the updated first parameter respectively, and the first or second parameter is adjusted based on the bisection method until the absolute value of 'a' in the dissolved substance function corresponding to the average of the adjusted second and first parameters is less than the preset threshold.

[0091] It should be noted that the above description of the Raman spectroscopy signal denoising method also applies to this Raman spectroscopy signal denoising device, and will not be repeated here.

[0092] In summary, the Raman spectroscopy signal denoising device according to embodiments of the present invention includes: an acquisition module for detecting the target solution and solvent respectively to obtain the target solution function and the solvent solution function; a calculation module for calculating the corresponding dissolved substance function based on the target solution function and the solvent solution function according to a first parameter, a second parameter, and the mean of the first parameter and the second parameter, respectively, wherein the dissolved substance function is a quadratic function; a judgment module for acquiring the 'a' value corresponding to each dissolved substance function and determining whether all 'a' values ​​corresponding to the dissolved substance functions are positive or all 'a' values ​​corresponding to the dissolved substance functions are negative; an adjustment module for adjusting the first parameter or the second parameter based on the bisection method according to the 'a' value corresponding to each dissolved substance function when not all 'a' values ​​are positive or negative, to determine the final parameter; and a fitting module for fitting the final Raman spectral analysis signal according to the final parameter. This device effectively removes noise from Raman spectral signals, improving the extraction success rate and extraction effect of Raman spectral signals.

[0093] It should be noted that the logic and / or steps represented in the flowchart or otherwise described herein, for example, can be considered as a sequenced list of executable instructions for implementing logical functions, and can be embodied in any computer-readable medium for use by, or in conjunction with, an instruction execution system, apparatus, or device (such as a computer-based system, a processor-included system, or other system that can fetch and execute instructions from, an instruction execution system, apparatus, or device). For the purposes of this specification, "computer-readable medium" can be any means that can contain, store, communicate, propagate, or transmit programs for use by, or in conjunction with, an instruction execution system, apparatus, or device. More specific examples (a non-exhaustive list) of computer-readable media include: an electrical connection having one or more wires (electronic device), a portable computer disk drive (magnetic device), random access memory (RAM), read-only memory (ROM), erasable and editable read-only memory (EPROM or flash memory), fiber optic devices, and portable optical disc read-only memory (CDROM). Alternatively, the computer-readable medium may be paper or other suitable media on which the program can be printed, since the program can be obtained electronically, for example, by optically scanning the paper or other medium, followed by editing, interpreting, or otherwise processing as necessary, and then stored in a computer memory.

[0094] It should be understood that various parts of the present invention can be implemented in hardware, software, firmware, or a combination thereof. In the above embodiments, multiple steps or methods can be implemented in software or firmware stored in memory and executed by a suitable instruction execution system. For example, if implemented in hardware, as in another embodiment, it can be implemented using any one or a combination of the following techniques known in the art: discrete logic circuits having logic gates for implementing logical functions on data signals, application-specific integrated circuits (ASICs) having suitable combinational logic gates, programmable gate arrays (PGAs), field-programmable gate arrays (FPGAs), etc.

[0095] In the description of this specification, references to terms such as "one embodiment," "some embodiments," "example," "specific example," or "some examples," etc., indicate that a specific feature, structure, material, or characteristic described in connection with that embodiment or example is included in at least one embodiment or example of the invention. In this specification, the illustrative expressions of the above terms do not necessarily refer to the same embodiment or example. Furthermore, the specific features, structures, materials, or characteristics described may be combined in any suitable manner in one or more embodiments or examples.

[0096] In the description of this invention, it should be understood that the terms "center," "longitudinal," "lateral," "length," "width," "thickness," "upper," "lower," "front," "rear," "left," "right," "vertical," "horizontal," "top," "bottom," "inner," "outer," "clockwise," "counterclockwise," "axial," "radial," and "circumferential" indicate the orientation or positional relationship based on the orientation or positional relationship shown in the accompanying drawings. They are used only for the convenience of describing this invention and simplifying the description, and are not intended to indicate or imply that the device or element referred to must have a specific orientation, or be constructed and operated in a specific orientation. Therefore, they should not be construed as limitations on this invention.

[0097] Furthermore, the terms "first" and "second" are used for descriptive purposes only and should not be construed as indicating or implying relative importance or implicitly specifying the number of technical features indicated. Thus, a feature defined as "first" or "second" may explicitly or implicitly include at least one of that feature. In the description of this invention, "a plurality of" means at least two, such as two, three, etc., unless otherwise explicitly specified.

[0098] In this invention, unless otherwise explicitly specified and limited, the terms "installation," "connection," "linking," and "fixing," etc., should be interpreted broadly. For example, they can refer to a fixed connection, a detachable connection, or an integral part; they can refer to a mechanical connection or an electrical connection; they can refer to a direct connection or an indirect connection through an intermediate medium; they can refer to the internal communication of two components or the interaction between two components, unless otherwise explicitly limited. Those skilled in the art can understand the specific meaning of the above terms in this invention according to the specific circumstances.

[0099] In this invention, unless otherwise explicitly specified and limited, "above" or "below" the second feature can mean that the first feature is in direct contact with the second feature, or that the first feature is in indirect contact with the second feature through an intermediate medium. Furthermore, "above," "over," and "on top" of the second feature can mean that the first feature is directly above or diagonally above the second feature, or simply that the first feature is at a higher horizontal level than the second feature. "Below," "below," and "under" the second feature can mean that the first feature is directly below or diagonally below the second feature, or simply that the first feature is at a lower horizontal level than the second feature.

[0100] Although embodiments of the present invention have been shown and described above, it is understood that the above embodiments are exemplary and should not be construed as limiting the present invention. Those skilled in the art can make changes, modifications, substitutions and variations to the above embodiments within the scope of the present invention.

Claims

1. A method for denoising Raman spectroscopy analysis signals, characterized in that, The target solution and solvent were detected separately to obtain the target solution function and solvent solution function; Based on the target solution function and the solvent solution function, the corresponding dissolved substance function is calculated according to the first parameter, the second parameter, and the mean of the first parameter and the second parameter, respectively, wherein the dissolved substance function is a fitted quadratic function; Obtain the value of 'a' for each function of the dissolved substance, and determine whether all values ​​of 'a' for all functions of the dissolved substance are positive or all values ​​of 'a' for all functions of the dissolved substance are negative; 'a' is the coefficient of the quadratic term of the quadratic function. If not, then based on the dichotomy method, adjust the first parameter or the second parameter according to the value of 'a' corresponding to each dissolved substance function to determine the final parameter; The final Raman spectral analysis signal is fitted based on the final parameters; The dissolved substance function is calculated using the following formula: in, This represents the function of the dissolved substance corresponding to the first parameter. Represents the objective solution function. Represents the solvent solution function. This represents the function of the dissolved substance corresponding to the second parameter. This represents the dissolved substance function corresponding to the mean of the first and second parameters. Indicates the first parameter. Indicates the second parameter. This represents the mean of the first and second parameters.

2. The Raman spectroscopy signal denoising method as described in claim 1, characterized in that, If the value of 'a' for all dissolved substances is positive or the value of 'a' for all dissolved substances is negative, then the first parameter or the second parameter is selected as the final parameter.

3. The Raman spectroscopy signal denoising method as described in claim 1, characterized in that, Based on the binary search method, the first or second parameter is adjusted according to the value of 'a' corresponding to each dissolved substance function to determine the final parameters, including: Determine whether the value of 'a' corresponding to the dissolved substance function of the second parameter and the value of 'a' corresponding to the average of the first parameter and the second parameter are both negative or both positive; If so, the second parameter is updated based on the average of the first parameter and the second parameter, and the average of the updated second parameter and the first parameter is calculated, and the corresponding dissolved substance function is calculated based on the average of the updated second parameter and the first parameter. Determine whether the absolute value of the 'a' value of the dissolved substance function corresponding to the mean of the updated second parameter and the first parameter is less than a preset threshold; If so, the average of the updated second parameter and the first parameter will be used as the final parameter; If not, calculate the corresponding dissolved substance function based on the updated second parameter and first parameter respectively, and continue to adjust the first parameter or the second parameter based on the dichotomy method until the absolute value of the 'a' value of the dissolved substance function corresponding to the mean of the adjusted second parameter and the first parameter is less than the preset threshold.

4. The Raman spectroscopy signal denoising method as described in claim 3, characterized in that, If the value of 'a' of the dissolved substance function corresponding to the second parameter is positive and the value of 'a' of the dissolved substance function corresponding to the average of the first parameter and the second parameter is negative, then the first parameter is updated according to the average of the first parameter and the second parameter, and the average of the updated first parameter and the second parameter is calculated, and the corresponding dissolved substance function is calculated based on the average of the updated first parameter and the second parameter. Determine whether the absolute value of the 'a' value of the dissolved substance function corresponding to the mean of the updated first and second parameters is less than a preset threshold. If so, the average of the updated first and second parameters will be used as the final parameter; If not, calculate the corresponding dissolved substance function based on the second parameter and the updated first parameter respectively, and continue to adjust the first parameter or the second parameter based on the dichotomy method until the absolute value of the 'a' value of the dissolved substance function corresponding to the mean of the adjusted second parameter and the first parameter is less than the preset threshold.

5. A computer-readable storage medium, characterized in that, It stores a Raman spectroscopy signal denoising program, which, when executed by the processor, implements the Raman spectroscopy signal denoising method as described in any one of claims 1-4.

6. A computer device, comprising a memory, a processor, and a computer program stored in the memory and executable on the processor, characterized in that, When the processor executes the program, it implements the Raman spectroscopy analysis signal denoising method as described in any one of claims 1-4.

7. A Raman spectroscopy signal denoising device, characterized in that, include: An acquisition module is used to detect the target solution and the solvent respectively to obtain the target solution function and the solvent solution function; The calculation module is used to calculate the corresponding dissolved substance function based on the target solution function and the solvent solution function, respectively, according to a first parameter, a second parameter, and the mean of the first parameter and the second parameter, wherein the dissolved substance function is a fitted quadratic function; The judgment module is used to obtain the value of 'a' corresponding to each dissolved substance function, and to determine whether all the values ​​of 'a' corresponding to the dissolved substance functions are positive or all the values ​​of 'a' corresponding to the dissolved substance functions are negative; 'a' is the coefficient of the quadratic term of the quadratic function. The adjustment module is used to adjust the first parameter or the second parameter based on the bisection method according to the value of a corresponding to each dissolved substance function when the values ​​of 'a' for all dissolved substances are not all positive or all negative, so as to determine the final parameter. A fitting module, which is used to fit the final Raman spectral analysis signal based on the final parameters; The dissolved substance function is calculated using the following formula: in, This represents the function of the dissolved substance corresponding to the first parameter. Represents the objective solution function. Represents the solvent solution function. This represents the function of the dissolved substance corresponding to the second parameter. This represents the dissolved substance function corresponding to the mean of the first and second parameters. Indicates the first parameter. Indicates the second parameter. This represents the mean of the first and second parameters.

8. The Raman spectroscopy signal denoising device as described in claim 7, characterized in that, The adjustment module is also used to select the first parameter or the second parameter as the final parameter when the values ​​of 'a' corresponding to all dissolved functions are positive or the values ​​of 'a' corresponding to all dissolved functions are negative.

Images