Mass spectrometer detectors and their data correction methods and devices, storage media

Abstract

This invention belongs to the field of mass spectrometry detector technology, and specifically relates to a mass spectrometry detector and its data correction method, apparatus, and storage medium. The method includes: acquiring ion data collected by the mass spectrometry detector in scanning mode based on a preset scan step divided by ion mass; acquiring the actual mass of each group of ions of the same mass in the ion data and recording it as a data acquisition point, with each data acquisition point corresponding to a set acquisition point based on the preset scan step; when the mass difference between a data acquisition point and the corresponding set acquisition point is less than or equal to a preset accuracy range, using the signal intensity of the data acquisition point as the signal intensity of the corresponding set acquisition point; when the mass difference between a data acquisition point and the corresponding set acquisition point is less than or equal to a correction threshold, obtaining the signal intensity of the set acquisition point based on the signal intensities of the two data acquisition points with the closest masses to the corresponding set acquisition point. This improves the precision and accuracy of the acquired ion data.

Description

Technical Field

[0001] This invention relates to the field of mass spectrometry detector technology, and in particular to a mass spectrometry detector, its data correction method and apparatus, and storage medium. Background Technology

[0002] In the field of mass spectrometry, with the increasing demands for analytical precision, existing technologies have gradually revealed some shortcomings in mass spectrometry data processing. For example, the problems are more pronounced when using instruments such as triple quadrupole mass spectrometers. Typically, during mass spectrometry scanning, the mass scan range and step size need to be set in the software. However, commonly used step sizes, such as 0.1 Da, are often not divisible by the minimum step size of the actual instrument. This leads to a critical issue: a discrepancy exists between the raw data uploaded from the underlying hardware to the host computer and the software settings. Consequently, existing mass spectrometry data processing methods have significant deficiencies in ensuring accuracy, making it difficult to meet the increasingly sophisticated demands of mass spectrometry analysis. Summary of the Invention

[0003] This invention aims to at least partially address one of the technical problems in related technologies. Therefore, one objective of this invention is to provide a data correction method for a mass spectrometer detector that can improve the precision and accuracy of acquired ion data and meet the needs of refined mass spectrometry analysis.

[0004] A second objective of this invention is to provide a computer-readable storage medium.

[0005] The third objective of this invention is to provide a data correction device for a mass spectrometer detector.

[0006] The fourth objective of this invention is to provide a mass spectrometry detector.

[0007] To achieve the above objectives, a first aspect of the present invention provides a data correction method for a mass spectrometer detector, wherein the method includes: acquiring ion data collected by the mass spectrometer detector in scanning mode based on a preset scan step divided by ion mass; acquiring the actual mass of each group of ions with the same mass in the ion data and recording it as a data acquisition point, each data acquisition point corresponding to a set acquisition point based on the preset scan step; when the mass difference between the data acquisition point and the corresponding set acquisition point is less than or equal to a preset accuracy range, using the signal intensity of the data acquisition point as the signal intensity of the corresponding set acquisition point; when the mass difference between the data acquisition point and the corresponding set acquisition point is less than or equal to a correction threshold, obtaining the signal intensity of the set acquisition point based on the signal intensities of the two data acquisition points with the closest masses to the corresponding set acquisition point.

[0008] According to the data correction method for a mass spectrometer detector of the present invention, ion data acquired by the mass spectrometer detector in scanning mode based on a preset scan step divided by ion mass is obtained; the actual mass of each group of ions with the same mass in the ion data is obtained and recorded as a data acquisition point, and each data acquisition point corresponds to a set acquisition point based on the preset scan step; when the mass difference between the data acquisition point and the corresponding set acquisition point is less than or equal to a preset accuracy range, the signal intensity of the data acquisition point is used as the signal intensity of the corresponding set acquisition point; when the mass difference between the data acquisition point and the corresponding set acquisition point is less than or equal to a correction threshold, the signal intensity of the set acquisition point is obtained based on the signal intensities of the two data acquisition points with the closest mass to the corresponding set acquisition point, thereby improving the precision and accuracy of the acquired ion data and meeting the needs of refined mass spectrometry analysis.

[0009] In addition, the data correction method for the mass spectrometer detector according to the above embodiments of the present invention may further include the following additional technical features:

[0010] According to one embodiment of the present invention, obtaining the signal strength of the set acquisition point based on the signal strengths of the two data acquisition points with the closest corresponding set acquisition point quality includes: obtaining the signal strength of a first data acquisition point with a quality lower than the set acquisition point and the smallest quality difference with the set acquisition point; obtaining the signal strength of a second data acquisition point with a quality greater than the set acquisition point and the smallest quality difference with the set acquisition point; and obtaining the signal strength of the set acquisition point by linear interpolation based on the signal strengths of the first data acquisition point and the second data acquisition point.

[0011] According to an embodiment of the present invention, the method further includes: when the distance between the data acquisition point and the corresponding set acquisition point is greater than a correction threshold, abandoning the acquisition of the signal strength of the set acquisition point corresponding to the data acquisition point, wherein the correction threshold is determined according to the quality resolution of the quality analyzer.

[0012] According to one embodiment of the present invention, obtaining the actual mass of each group of ions with the same mass in the ion data includes: obtaining the tuning curve of the mass analyzer and the hardware parameters of each data acquisition point; and obtaining the actual mass of each data acquisition point based on the tuning curve and the hardware parameters.

[0013] According to one embodiment of the present invention, the hardware parameter is the RF amplitude of the quadrupole.

[0014] According to one embodiment of the present invention, the tuning curve is a quadrupole RF amplitude function based on a standard sample, which includes each data acquisition point.

[0015] According to one embodiment of the present invention, acquiring ion data collected by the mass spectrometer detector in scanning mode based on a preset scan step divided by ion mass includes: acquiring the detection signal of the mass spectrometer detector; converting and processing the detection signal to obtain the number of ions collected per unit time; the number of ions collected per unit time is the ion data.

[0016] According to one embodiment of the present invention, the step of acquiring the detection signal of the mass spectrometer further includes: acquiring the detection dead time of the mass spectrometer; and correcting the detection signal according to the detection dead time.

[0017] According to one embodiment of the present invention, the step of correcting the detection signal based on the detection dead time includes: correcting the detection signal using a linear correction method or a Poisson distribution method.

[0018] To achieve the above objectives, a second aspect of the present invention provides a computer-readable storage medium storing a data correction program for a mass spectrometer detector, wherein the data correction program for the mass spectrometer detector, when executed by a processor, implements the data correction method for the mass spectrometer detector described in the preceding embodiments of the present invention.

[0019] According to embodiments of the present invention, a computer-readable storage medium, by executing a data correction program for a mass spectrometer detector via a processor, can improve the precision and accuracy of acquired ion data and meet the needs of refined mass spectrometry analysis.

[0020] To achieve the above objectives, a third aspect of the present invention provides a data correction device for a mass spectrometer detector, wherein the device comprises: an acquisition module, configured to acquire ion data collected by the mass spectrometer detector in scanning mode based on a preset scan step divided by ion mass; the acquisition module is further configured to acquire the actual mass of each group of ions of the same mass in the ion data and record it as a data acquisition point, each data acquisition point corresponding to a set acquisition point based on the preset scan step; a processing module, configured to, when the mass difference between the data acquisition point and the corresponding set acquisition point is less than or equal to a preset accuracy range, use the signal intensity of the data acquisition point as the signal intensity of the corresponding set acquisition point; the processing module is further configured to, when the mass difference between the data acquisition point and the corresponding set acquisition point is less than or equal to a correction threshold, obtain the signal intensity of the set acquisition point based on the signal intensities of the two data acquisition points with the closest masses to the corresponding data acquisition point.

[0021] According to an embodiment of the present invention, a data correction device for a mass spectrometer detector acquires ion data collected by the mass spectrometer detector in scanning mode based on a preset scan step divided by ion mass through an acquisition module. The acquisition module also acquires the actual mass of each group of ions with the same mass in the ion data and records it as a data acquisition point. Each data acquisition point corresponds to a set acquisition point based on the preset scan step. When the mass difference between the data acquisition point and the corresponding set acquisition point is less than or equal to a preset accuracy range, the processing module uses the signal intensity of the data acquisition point as the signal intensity of the corresponding set acquisition point. When the mass difference between the data acquisition point and the corresponding set acquisition point is less than or equal to a correction threshold, the processing module obtains the signal intensity of the set acquisition point based on the signal intensities of the two data acquisition points with the closest masses to the corresponding set acquisition point. This improves the precision and accuracy of the acquired ion data and meets the needs of refined mass spectrometry analysis.

[0022] To achieve the above objectives, a fourth aspect of the present invention provides a mass spectrometer detector, including the data correction device for the mass spectrometer detector described in the foregoing embodiments of the present invention.

[0023] According to the mass spectrometer detector of the present invention, by employing the data correction device of the mass spectrometer detector of the above embodiments of the present invention, the precision and accuracy of ion data acquisition can be improved, and the needs of refined mass spectrometry analysis can be met.

[0024] 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

[0025] Figure 1 This is a flowchart illustrating a data correction method for a mass spectrometer detector according to an embodiment of the present invention;

[0026] Figure 2 This is a schematic diagram of the data acquisition axis according to an embodiment of the present invention;

[0027] Figure 3 This is a flowchart illustrating a data correction method for a mass spectrometer detector according to a specific embodiment of the present invention;

[0028] Figure 4 This is a block diagram of a data correction device for a mass spectrometer detector according to an embodiment of the present invention;

[0029] Figure 5 This is a block diagram of a mass spectrometer detector 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 following description, with reference to the accompanying drawings, outlines an embodiment of the present invention, including a data correction method for a mass spectrometer, a computer-readable storage medium, a data correction apparatus for a mass spectrometer, and a mass spectrometer.

[0032] Figure 1 This is a schematic flowchart of a data correction method for a mass spectrometer detector according to an embodiment of the present invention.

[0033] Specifically, in some embodiments of the present invention, such as Figure 1 As shown, the data correction method for the mass spectrometer detector includes:

[0034] S101, acquire ion data collected by the mass spectrometer detector in scan mode based on a preset scan step divided by ion mass.

[0035] Specifically, in this embodiment, when the mass spectrometer detector is in scanning mode, the mass analyzer continuously scans within a set mass window width. The mass analyzer allows all ions within the mass window width to pass through and acquires the ion data collected by the mass spectrometer detector through a hardware signal acquisition system. This ion data is acquired according to a preset scan step, which is based on ion mass and defines the mass interval for each step during the mass scan. For example, the preset scan step can be set to 0.1 Da, meaning that the mass interval for each step during the mass scan is 0.1 Da. This ensures that ion data is acquired uniformly within the set mass range, providing a basis for subsequent data processing and correction.

[0036] S102, acquire the actual mass of each group of ions with the same mass in the ion data and record it as a data acquisition point. Each data acquisition point corresponds to a set acquisition point based on a preset scanning step.

[0037] Specifically, in this embodiment, the tuning curve of the mass analyzer and the hardware parameters of each data acquisition point are first obtained. The hardware parameters here mainly refer to the radio frequency (RF) amplitude of the quadrupole. The tuning curve is established based on a standard sample and includes the quadrupole RF amplitude function corresponding to each data acquisition point. Using the tuning curve and hardware parameters, the actual mass of each data acquisition point can be calculated. After obtaining the actual mass of each data acquisition point, ion data of the same mass can be integrated and processed. The actual mass of each group of ions of the same mass in the ion data can be obtained and recorded as a data acquisition point. Each data acquisition point corresponds to a set acquisition point based on a preset scan step size, such as... Figure 2 As shown, there are data acquisition points 1, 2, 3, ..., N-1 on the data acquisition axis. Data acquisition point 1 corresponds to a set acquisition point 1 based on a preset scanning step, and data acquisition point N-1 corresponds to a set acquisition point N-1 based on a preset scanning step.

[0038] S103, when the quality difference between the data acquisition point and the corresponding set acquisition point is less than or equal to the preset accuracy range, the signal strength of the data acquisition point is taken as the signal strength of the corresponding set acquisition point.

[0039] Specifically, in this embodiment, such as Figure 2 As shown, if the quality difference between data acquisition point 1 and the corresponding set acquisition point 1 is less than or equal to the preset accuracy range (i.e., within the dashed line range where set acquisition point 1 is located in the figure), then the signal strength of data acquisition point 1 can be used as the signal strength of the corresponding set acquisition point 1. If the quality difference between data acquisition point 3 and the corresponding set acquisition point 3 is less than or equal to the preset accuracy range (i.e., within the dashed line range where set acquisition point 3 is located in the figure), then the signal strength of data acquisition point 3 can be used as the signal strength of the corresponding set acquisition point 3. If the quality difference between data acquisition point N-3 and the corresponding set acquisition point N-3 is less than or equal to the preset accuracy range (i.e., within the dashed line range where set acquisition point N-3 is located in the figure), then the signal strength of data acquisition point N-3 can be used as the signal strength of the corresponding set acquisition point N-3.

[0040] S104, when the quality difference between the data acquisition point and the corresponding set acquisition point is less than or equal to the correction threshold, the signal strength of the set acquisition point is obtained based on the signal strength of the two data acquisition points with the closest quality to the corresponding set acquisition point.

[0041] Specifically, in this embodiment, when the quality difference between a data acquisition point and a corresponding set acquisition point is less than or equal to a correction threshold, the signal strength of the set acquisition point is obtained based on the signal strengths of the two data acquisition points whose quality is closest to that of the set acquisition point. The correction threshold is typically three times the preset scan step value. First, the quality of all data acquisition points and the set acquisition point is obtained. Then, the quality difference between the set acquisition point and all data acquisition points and other set acquisition points is calculated. These differences are then sorted from smallest to largest according to the quality difference, and the two acquisition points with the smallest quality difference are selected as the two data acquisition points whose quality is closest to that of the set acquisition point. For example, as shown... Figure 2 As shown in the (N-2)th data acquisition point, the quality difference between data acquisition point N-2 and the corresponding set acquisition point N-2 is greater than the preset accuracy range. The two data acquisition points closest to the corresponding set acquisition point N-2 are data acquisition point N-2 and data acquisition point N-3. Therefore, the signal strength of the set acquisition point N-2 can be determined based on data acquisition point N-2 and data acquisition point N-3. When the quality of data acquisition point N-2 is 100.107 Da, the quality of the corresponding set acquisition point N-2 is 100.1 Da, and the preset accuracy range is ±0.006 Da, the quality difference between data acquisition point N-2 and the corresponding set acquisition point N-2 is 0.007 Da. Therefore, the signal strength of the set acquisition point N-2 can be determined based on data acquisition point N-2 and data acquisition point N-3.

[0042] If the quality difference between data acquisition point 2 and the corresponding set acquisition point 2 is greater than the preset accuracy range, and the two data acquisition points closest to the corresponding set acquisition point 2 are data acquisition point 2 and data acquisition point 3, then the signal strength of the set acquisition point 2 can be determined based on data acquisition point 2 and data acquisition point 3. When the quality of data acquisition point 2 is 100.095 Da, the quality of the corresponding set acquisition point 2 is 100.1 Da, and the preset accuracy range is ±0.004 Da, the quality difference between data acquisition point 2 and the corresponding set acquisition point 2 is 0.005 Da. Then the signal strength of the set acquisition point 2 can be determined based on data acquisition point 2 and data acquisition point 3.

[0043] Furthermore, in some embodiments of the present invention, obtaining the signal strength of a set acquisition point based on the signal strengths of two data acquisition points with the closest quality to the set acquisition point includes: obtaining the signal strength of a first data acquisition point with a quality lower than the set acquisition point and the smallest quality difference with the set acquisition point; obtaining the signal strength of a second data acquisition point with a quality greater than the set acquisition point and the smallest quality difference with the set acquisition point; and obtaining the signal strength of the set acquisition point by linear interpolation based on the signal strengths of the first and second data acquisition points.

[0044] Specifically, in this embodiment, such as Figure 2 As shown, the quality difference between data acquisition point 2 and the corresponding set acquisition point 2 is greater than the preset accuracy range. The first data acquisition point with a quality less than the set acquisition point 2 and the smallest quality difference with the set acquisition point 2 is data acquisition point 2. The second data acquisition point with a quality greater than the set acquisition point 2 and the smallest quality difference with the set acquisition point 2 is data acquisition point 3. Thus, the signal strengths of data acquisition points 2 and 3 can be obtained, and the signal strength of set acquisition point 2 can be obtained by linear interpolation based on the signal strengths of data acquisition points 2 and 3.

[0045] Furthermore, in some embodiments of the present invention, when the distance between the data acquisition point and the corresponding set acquisition point is greater than the correction threshold, the acquisition of the signal strength of the set acquisition point corresponding to the data acquisition point is abandoned, wherein the correction threshold is determined according to the quality resolution of the quality analyzer.

[0046] Specifically, when the distance between the data acquisition point and the corresponding set acquisition point is greater than the correction threshold, the ions at the data acquisition point may not have a signal response under the separation conditions of the corresponding set acquisition point, making the correction result of the linear interpolation calculation unreliable. Consequently, it is necessary to abandon obtaining the signal strength of the set acquisition point corresponding to the data acquisition point. The correction threshold is determined based on the mass resolution of the mass analyzer. The correction threshold of the present invention can preferably be three times the value of the preset scan step to ensure that only data acquisition points with errors within a reasonable range are used for subsequent linear interpolation calculations, thereby improving the accuracy of the data.

[0047] Furthermore, in some embodiments of the present invention, obtaining the actual mass of each group of ions with the same mass in the ion data includes: obtaining the tuning curve of the mass analyzer and the hardware parameters of each data acquisition point; and obtaining the actual mass of each data acquisition point based on the tuning curve and the hardware parameters. The hardware parameters are the RF amplitude of the quadrupole, and the tuning curve is a quadrupole RF amplitude function based on a standard sample that includes each data acquisition point.

[0048] Specifically, in this embodiment, firstly, the tuning curve of the mass analyzer and the hardware parameters of each data acquisition point are acquired. The hardware parameters refer to the RF amplitude of the quadrupole. The tuning curve is established based on a standard sample and includes a function describing the relationship between the quadrupole RF amplitude and the actual mass-to-charge ratio (m / z) at each data acquisition point. Based on the acquired tuning curve and the RF amplitude of each data acquisition point, the actual mass of each data acquisition point is calculated. This is done by substituting the RF amplitude of each data acquisition point into the function described by the tuning curve to obtain the corresponding mass-to-charge ratio, i.e., the actual mass. After obtaining the actual mass of each data acquisition point, the ion data are organized, grouping ions with the same mass into a group and recording the actual mass of the data acquisition point corresponding to that group of ions for subsequent data processing and analysis.

[0049] Furthermore, in some embodiments of the present invention, acquiring ion data collected by the mass spectrometer detector in scanning mode based on a preset scanning step divided by ion mass includes: acquiring the detection signal of the mass spectrometer detector; converting and processing the detection signal to obtain the number of ions collected per unit time; the number of ions collected per unit time is the ion data.

[0050] Specifically, in this embodiment, after acquiring the detection signal from the mass spectrometer detector, the detection signal is converted and processed to obtain the number of ions collected per unit time. For example, if the unit time is 1 second, the number of ions is 5000, and the collection time is 0.5 seconds, the number of ions collected per unit time can be obtained as 10000. The number of ions collected per unit time is the ion data.

[0051] Furthermore, in some embodiments of the present invention, acquiring the detection signal of the mass spectrometer detector further includes: acquiring the detection dead time of the mass spectrometer detector; and correcting the detection signal based on the detection dead time.

[0052] Specifically, in this embodiment, firstly, the detection dead time of the mass spectrometer detector is obtained. This is the time interval during which the detector needs to briefly recover after responding to an ion event before it can record the next ion signal. It is usually on the order of nanoseconds. The detection dead time can be obtained from the instrument manual or pre-experiment. Then, based on the detection dead time, the detection signal can be corrected using a linear correction method or a Poisson distribution method. This can effectively correct the detection signal, reduce the error caused by the detection dead time, and improve the reliability of mass spectrometry detection.

[0053] In one specific embodiment of the present invention, such as Figure 2 and Figure 3As shown in the figure, Mass_r represents the quality of the data acquisition point, Mass represents the quality of the corresponding set acquisition point, Mass_Err represents the preset threshold, N represents the total number of data acquisition points, Step_size represents the preset scan step, and Step_size*3 represents the correction threshold.

[0054] After acquiring ion data, all ion data are judged sequentially. When the mass difference between the data acquisition point and the corresponding set acquisition point is less than or equal to the preset accuracy range, the signal strength of the data acquisition point is taken as the signal strength of the corresponding set acquisition point, that is, there is no need to correct the ion data corresponding to the data acquisition point.

[0055] Conversely, ion data correction is required. Before correction, if the distance between a data acquisition point and a corresponding set acquisition point is greater than a correction threshold, obtaining the signal strength of the set acquisition point corresponding to the data acquisition point is abandoned. When the mass difference between a data acquisition point and a corresponding set acquisition point is less than or equal to the correction threshold, the signal strength of a first data acquisition point with a mass less than the set acquisition point and the smallest mass difference with the set acquisition point is obtained; the signal strength of a second data acquisition point with a mass greater than the set acquisition point and the smallest mass difference with the set acquisition point is obtained; based on the first and second data acquisition points... The signal strength of the data acquisition point is obtained by linear interpolation. For example, if the quality difference between data acquisition point N-2 and the set acquisition point N-2 is greater than a preset threshold, data acquisition point N-2 is corrected based on the previous data acquisition point N-3 to obtain the signal strength of the set acquisition point N-2. If the quality difference between data acquisition point 2 and the set acquisition point 2 is less than a preset threshold, data acquisition point 2 is corrected based on the next data acquisition point 3 to obtain the signal strength of the set acquisition point. The preset threshold is determined according to a preset accuracy range, which is half of the preset accuracy range, and is a positive value.

[0056] In summary, the data correction method for a mass spectrometer detector according to embodiments of the present invention acquires ion data collected by the mass spectrometer detector in scanning mode based on a preset scan step divided by ion mass; acquires the actual mass of each group of ions with the same mass in the ion data and records it as a data acquisition point, with each data acquisition point corresponding to a set acquisition point based on a preset scan step; when the mass difference between a data acquisition point and the corresponding set acquisition point is less than or equal to a preset accuracy range, the signal intensity of the data acquisition point is used as the signal intensity of the corresponding set acquisition point; when the mass difference between a data acquisition point and the corresponding set acquisition point is less than or equal to a correction threshold, the signal intensity of the set acquisition point is obtained based on the signal intensities of the two data acquisition points with the closest masses to the corresponding set acquisition point, thereby improving the precision and accuracy of the acquired ion data and meeting the needs of refined mass spectrometry analysis.

[0057] Based on the data correction method for mass spectrometer detectors proposed in the foregoing embodiments of the present invention, the present invention also proposes a computer-readable storage medium storing a data correction program for a mass spectrometer detector. When the data correction program for the mass spectrometer detector is executed by a processor, it implements the data correction method for mass spectrometer detectors described in the foregoing embodiments of the present invention.

[0058] According to embodiments of the present invention, a computer-readable storage medium, by executing a data correction program for a mass spectrometer detector via a processor, can improve the precision and accuracy of acquired ion data and meet the needs of refined mass spectrometry analysis.

[0059] Figure 4 This is a block diagram of a data correction device for a mass spectrometer detector according to an embodiment of the present invention.

[0060] Specifically, such as Figure 4 As shown, the data correction device 100 for the mass spectrometer detector includes an acquisition module 10 and a processing module 20.

[0061] The acquisition module 10 is used to acquire ion data collected by the mass spectrometer detector in scanning mode based on a preset scan step divided by ion mass. The acquisition module 10 is also used to acquire the actual mass of each group of ions with the same mass in the ion data and record it as a data acquisition point. Each data acquisition point corresponds to a set acquisition point based on the preset scan step. The processing module 20 is used to take the signal intensity of the data acquisition point as the signal intensity of the corresponding set acquisition point when the mass difference between the data acquisition point and the corresponding set acquisition point is less than or equal to a preset accuracy range. The processing module 20 is also used to obtain the signal intensity of the set acquisition point based on the signal intensity of the two data acquisition points with the closest mass of the corresponding data acquisition point when the mass difference between the data acquisition point and the corresponding set acquisition point is less than or equal to a correction threshold.

[0062] In some embodiments of the present invention, the processing module 20 is specifically used to obtain the signal strength of a first data acquisition point whose quality is less than that of a set acquisition point and whose quality difference with the set acquisition point is the smallest; to obtain the signal strength of a second data acquisition point whose quality is greater than that of a set acquisition point and whose quality difference with the set acquisition point is the smallest; and to obtain the signal strength of the set acquisition point by linear interpolation based on the signal strengths of the first data acquisition point and the second data acquisition point.

[0063] In some embodiments of the present invention, the processing module 20 is further configured to abandon obtaining the signal strength of the set acquisition point corresponding to the data acquisition point when the distance between the data acquisition point and the corresponding set acquisition point is greater than the correction threshold, wherein the correction threshold is determined according to the quality resolution of the quality analyzer.

[0064] In some embodiments of the present invention, the acquisition module 10 is specifically used to acquire the tuning curve of the quality analyzer and the hardware parameters of each data acquisition point; and to obtain the actual quality of each data acquisition point based on the tuning curve and the hardware parameters.

[0065] In some embodiments of the present invention, the hardware parameter is the RF amplitude of the quadrupole.

[0066] In some embodiments of the present invention, the tuning curve is a quadrupole RF amplitude function based on a standard sample, which includes each data acquisition point.

[0067] In some embodiments of the present invention, the acquisition module 10 is specifically used to acquire the detection signal of the mass spectrometer detector; to convert and process the detection signal to obtain the number of ions collected per unit time; the number of ions collected per unit time is the ion data.

[0068] In some embodiments of the present invention, the acquisition module 10 is further configured to acquire the detection dead time of the mass spectrometer detector and correct the detection signal based on the detection dead time.

[0069] In some embodiments of the present invention, a linear correction method or a Poisson distribution method is used to correct the detection signal.

[0070] It should be noted that other specific embodiments of the data correction device for the mass spectrometer detector proposed in the embodiments of the present invention can be found in the specific embodiments of the data correction method for the mass spectrometer detector described above. To reduce redundancy, they will not be repeated here.

[0071] In summary, the data correction device for the mass spectrometer detector according to the embodiments of the present invention acquires ion data collected by the mass spectrometer detector in scanning mode based on a preset scan step divided by ion mass through an acquisition module, and acquires the actual mass of each group of ions with the same mass in the ion data and records it as a data acquisition point. Each data acquisition point corresponds to a set acquisition point based on a preset scan step. When the mass difference between the data acquisition point and the corresponding set acquisition point is less than or equal to a preset accuracy range, the processing module uses the signal intensity of the data acquisition point as the signal intensity of the corresponding set acquisition point. When the mass difference between the data acquisition point and the corresponding set acquisition point is less than or equal to a correction threshold, the processing module obtains the signal intensity of the set acquisition point based on the signal intensities of the two data acquisition points with the closest mass to the corresponding set acquisition point. This can improve the precision and accuracy of the acquired ion data and meet the needs of refined mass spectrometry analysis.

[0072] Figure 5 This is a block diagram of a mass spectrometer detector according to an embodiment of the present invention.

[0073] like Figure 5As shown, the mass spectrometer detector 1000 includes the data correction device 100 of the mass spectrometer detector described in the above embodiment of the present invention.

[0074] According to the mass spectrometer detector of the present invention, by employing the data correction device of the mass spectrometer detector of the above embodiments of the present invention, the precision and accuracy of ion data acquisition can be improved, and the needs of refined mass spectrometry analysis can be met.

[0075] 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 specifically implemented 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.

[0076] 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.

[0077] 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.

[0078] 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.

[0079] 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.

[0080] 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.

[0081] 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.

[0082] 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 data correction method for a mass spectrometer detector, characterized in that, The method includes: The mass spectrometer detector acquires ion data in scanning mode based on a preset scan step divided by ion mass. The actual mass of each group of ions with the same mass in the ion data is obtained and recorded as a data acquisition point. Each data acquisition point corresponds to a set acquisition point based on the preset scanning step. The process of obtaining the actual mass of each group of ions with the same mass in the ion data includes: obtaining the tuning curve of the mass analyzer and the hardware parameters of each data acquisition point; and obtaining the actual mass of each data acquisition point based on the tuning curve and the hardware parameters. When the quality difference between the data acquisition point and the corresponding set acquisition point is less than or equal to the preset accuracy range, the signal strength of the data acquisition point is taken as the signal strength of the corresponding set acquisition point. When the quality difference between a data acquisition point and a corresponding set acquisition point is greater than the preset accuracy range and less than or equal to the correction threshold, the signal strength of the set acquisition point is obtained based on the signal strength of the two data acquisition points with the closest quality to the corresponding set acquisition point. When the distance between a data acquisition point and a corresponding set acquisition point is greater than a correction threshold, the acquisition of the signal strength of the set acquisition point corresponding to the data acquisition point is abandoned. The correction threshold is determined based on the quality resolution of the quality analyzer. The hardware parameter is the RF amplitude of the quadrupole; The tuning curve is a quadrupole RF amplitude function based on a standard sample, containing data acquisition points.

2. The data correction method for the mass spectrometer detector according to claim 1, characterized in that, The step of obtaining the signal strength of the set acquisition point based on the signal strengths of the two data acquisition points with the closest quality includes: Obtain the signal strength of the first data acquisition point whose quality is less than the set acquisition point and whose quality difference with the set acquisition point is the smallest; Obtain the signal strength of a second data acquisition point whose quality is greater than that of the set acquisition point and whose quality difference with the set acquisition point is the smallest; Based on the signal strengths of the first data acquisition point and the second data acquisition point, the signal strength of the set acquisition point is obtained by linear interpolation.

3. The data correction method for the mass spectrometer detector according to claim 1, characterized in that, The acquisition of ion data by the mass spectrometer detector in scanning mode based on a preset scan step divided by ion mass includes: Acquire the detection signal of the mass spectrometer detector; The detection signal is converted and processed to obtain the number of ions collected per unit time. The number of ions collected per unit time is the ion data.

4. The data correction method for the mass spectrometer detector according to claim 3, characterized in that, The process of acquiring the detection signal from the mass spectrometer detector further includes: Obtain the detection dead time of the mass spectrometer detector; The detection signal is corrected based on the detection dead time.

5. The data correction method for the mass spectrometer detector according to claim 4, characterized in that, The step of correcting the detection signal based on the detection dead time includes: The detection signal is corrected using a linear correction method or a Poisson distribution method.

6. A computer-readable storage medium, characterized in that, It stores a data correction program for a mass spectrometer detector, which, when executed by a processor, implements the data correction method for a mass spectrometer detector according to any one of claims 1-5.

7. A data correction device for a mass spectrometer detector, characterized in that, The device includes: The acquisition module is used to acquire ion data collected by the mass spectrometer detector in scanning mode based on a preset scan step divided by ion mass; The acquisition module is further configured to acquire the actual mass of each group of ions with the same mass in the ion data and record it as a data acquisition point, with each data acquisition point corresponding to a set acquisition point based on the preset scanning step; the acquisition of the actual mass of each group of ions with the same mass in the ion data includes: acquiring the tuning curve of the mass analyzer and the hardware parameters of each data acquisition point; and obtaining the actual mass of each data acquisition point based on the tuning curve and the hardware parameters. The processing module is used to take the signal strength of the data acquisition point as the signal strength of the corresponding set acquisition point when the quality difference between the data acquisition point and the corresponding set acquisition point is less than or equal to a preset accuracy range. The processing module is further configured to obtain the signal strength of the set acquisition point based on the signal strength of the two data acquisition points whose quality is closest to that of the corresponding data acquisition point when the quality difference between the data acquisition point and the corresponding set acquisition point is greater than the preset accuracy range and less than or equal to the correction threshold. The processing module is further configured to abandon obtaining the signal strength of the set acquisition point corresponding to the data acquisition point when the distance between the data acquisition point and the corresponding set acquisition point is greater than the correction threshold, wherein the correction threshold is determined according to the quality resolution of the quality analyzer. The hardware parameter is the RF amplitude of the quadrupole; The tuning curve is a quadrupole RF amplitude function based on a standard sample, containing data acquisition points.

8. A mass spectrometry detector, characterized in that, Includes the data correction device for the mass spectrometer detector as described in claim 7.

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