Ion scan method, apparatus, and system based on quadrupole mass spectrometer
By acquiring the initial voltage and determining the through voltage, the target slope and intercept adjustment parameters are found using iterative calculations and a mapping table. These parameters are then sent to the quadrupole mass spectrometer to adjust the voltage and achieve ion scanning.
Patent Information
- Authority / Receiving Office
- CN · China
- Patent Type
- Patents(China)
- Current Assignee / Owner
- GUANGZHOU HEXIN INSTR CO LTD
- Filing Date
- 2021-08-23
- Publication Date
- 2026-06-19
AI Technical Summary
In existing quadrupole mass spectrometers, it is difficult to achieve a balance in the accuracy of the spectrum during ion scanning, resulting in inconsistencies between resolution and sensitivity.
By acquiring the initial voltage, the passing voltage corresponding to ions with different mass-to-charge ratios is determined. Then, the target slope and intercept adjustment parameters are found using iterative calculations and mapping tables, and sent to the quadrupole mass spectrometer to adjust the voltage excitation and achieve ion scanning.
The accuracy of ion scanning spectra in quadrupole mass spectrometers has been improved, achieving a balance between resolution and sensitivity, and thus enhancing spectral accuracy.
Smart Images
Figure CN115714081B_ABST
Abstract
Description
Technical Field
[0001] This application relates to the field of mass spectrometry technology, and in particular to an ion scanning method, apparatus and system based on a quadrupole mass spectrometer. Background Technology
[0002] Currently, the quadrupole mass spectrometer is one of the most mature and widely used small-scale mass spectrometers. Quadrupole mass spectrometers perform ion scanning by acquiring a voltage value and then applying a voltage excitation to allow ions with a corresponding mass-to-charge ratio to pass through, resulting in a mass scan curve and thus a spectrum. The mass scan curve represents the ion resolution and sensitivity. In traditional techniques, quadrupole mass spectrometers only focus on voltage changes throughout the scanning process. This prevents a balance between ion resolution and sensitivity, leading to a discrepancy between the obtained mass scan curve and the theoretical value, resulting in inaccurate spectra.
[0003] Therefore, how to improve the accuracy of the spectra obtained when scanning ions using a quadrupole mass spectrometer is a technical problem that needs to be solved by those skilled in the art. Summary of the Invention
[0004] Therefore, it is necessary to provide a quadrupole mass spectrometer-based ion scanning method, apparatus, computer equipment, and storage medium that can improve the accuracy of the spectra obtained when scanning ions using a quadrupole mass spectrometer, in order to address the aforementioned technical problems.
[0005] An ion scanning method based on a quadrupole mass spectrometer, the method comprising:
[0006] Obtain the initial voltage;
[0007] The passing voltage corresponding to ions with different mass-to-charge ratios is determined based on the initial voltage;
[0008] For each ion with a mass-to-charge ratio, determine the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the voltage applied.
[0009] The voltage, the target slope adjustment parameter, and the target intercept adjustment parameter are sent to the quadrupole mass spectrometer so that the quadrupole mass spectrometer can determine the corresponding voltage excitation and achieve ion scanning.
[0010] In one embodiment, the process of determining the passing voltage corresponding to ions with different mass-to-charge ratios based on the initial voltage includes:
[0011] Obtain the voltage adjustment value and the number of iterations, wherein the number of iterations is related to the number of ions with different mass-to-charge ratios;
[0012] The initial voltage and the voltage adjustment value are used to perform iterative calculations until the number of iterations is reached, so as to obtain the passing voltage corresponding to each mass-to-charge ratio of ions; wherein, the initial voltage of the N+1th mass-to-charge ratio of ions is the passing voltage of the Nth mass-to-charge ratio of ions.
[0013] In one embodiment, the process of determining, for each ion with the mass-to-charge ratio, a target slope adjustment parameter and a target intercept adjustment parameter corresponding to the applied voltage includes:
[0014] A mapping table is pre-set that includes the correspondence between voltage values and slope adjustment parameters and intercept adjustment parameters;
[0015] For each ion with a mass-to-charge ratio, the target slope adjustment parameter and target intercept adjustment parameter corresponding to the voltage are found in the mapping table.
[0016] In one embodiment, when the target slope adjustment parameter and target intercept adjustment parameter corresponding to the through voltage do not exist in the mapping table, the method further includes:
[0017] The user is prompted to input the target slope adjustment parameter and the target intercept adjustment parameter;
[0018] In response to the user's input operation, the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the through voltage are obtained.
[0019] An ion scanning device based on a quadrupole mass spectrometer, the device comprising:
[0020] The acquisition module is used to acquire the initial voltage;
[0021] The first determining module is used to determine the passing voltage corresponding to ions with different mass-to-charge ratios based on the initial voltage;
[0022] The second determining module is used to determine, for each ion with a mass-to-charge ratio, the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the applied voltage;
[0023] The transmitting module is used to send the through voltage, the target slope adjustment parameter, and the target intercept adjustment parameter to the quadrupole mass spectrometer so that the quadrupole mass spectrometer can determine the corresponding voltage excitation and realize ion scanning.
[0024] An ion scanning system based on a quadrupole mass spectrometer, the system comprising a host computer, a circuit chip, and a quadrupole mass spectrometer;
[0025] The host computer is used to respond to user input operations, acquire the initial voltage, voltage adjustment value and iteration number and send them to the circuit chip;
[0026] The circuit chip is used to perform iterative calculations using the initial voltage and the voltage adjustment value until the iteration number is reached, to obtain the passing voltage corresponding to ions with different mass-to-charge ratios; wherein, the initial voltage of the (N+1)th mass-to-charge ratio ion is the passing voltage of the Nth mass-to-charge ratio ion; for each mass-to-charge ratio ion, a target slope adjustment parameter and a target intercept adjustment parameter corresponding to the passing voltage are determined; the passing voltage, the target slope adjustment parameter, and the target intercept adjustment parameter are sent to the quadrupole mass spectrometer;
[0027] The quadrupole mass spectrometer is used to determine the corresponding voltage excitation based on the through voltage, the target slope adjustment parameter, and the target intercept adjustment parameter to achieve ion scanning.
[0028] In one embodiment, the host computer is further configured to respond to user input operations, obtain a mapping table including the correspondence between voltage values and slope adjustment parameters and intercept adjustment parameters, and send it to the circuit chip;
[0029] For each ion with a mass-to-charge ratio, the circuit chip looks up the target slope adjustment parameter and target intercept adjustment parameter corresponding to the passing voltage in the mapping table.
[0030] In one embodiment, the host computer sends the mapping table to the circuit chip in a preset format according to the transmission protocol with the circuit chip.
[0031] In one embodiment, when the target slope adjustment parameter and target intercept adjustment parameter corresponding to the through voltage are not found in the mapping table, the circuit chip also sends an indication message to the host computer;
[0032] The host computer receives the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the through voltage from the user according to the instruction information, and sends them to the circuit chip.
[0033] In one embodiment, after receiving a clearing instruction from the host computer, the circuit chip clears the corresponding data information according to the clearing instruction.
[0034] The aforementioned ion scanning method, apparatus, and system based on a quadrupole mass spectrometer determine the through voltage corresponding to ions with different mass-to-charge ratios based on the initial voltage value, and determine the target slope adjustment parameters and target intercept adjustment parameters corresponding to the through voltage. After sending the through voltage, target slope adjustment parameters, and target intercept adjustment parameters to the quadrupole mass spectrometer, the quadrupole mass spectrometer can adjust the mass scanning slope when scanning ions using the target slope adjustment parameters and target intercept adjustment parameters. This allows the resolution and sensitivity of ions to reach a balanced state, thereby making the spectrum obtained by the quadrupole mass spectrometer from scanning ions more accurate. Attached Figure Description
[0035] Figure 1 This is a diagram illustrating the application environment of an ion scanning method based on a quadrupole mass spectrometer in one embodiment.
[0036] Figure 2 This is a schematic flowchart of an ion scanning method based on a quadrupole mass spectrometer in one embodiment;
[0037] Figure 3 This is a structural block diagram of an ion scanning device based on a quadrupole mass spectrometer in one embodiment;
[0038] Figure 4 This is a structural block diagram of an ion scanning system based on a quadrupole mass spectrometer in one embodiment. Detailed Implementation
[0039] To make the objectives, technical solutions, and advantages of this application clearer, the following detailed description is provided in conjunction with the accompanying drawings and embodiments. It should be understood that the specific embodiments described herein are merely illustrative and not intended to limit the scope of this application.
[0040] The ion scanning method based on a quadrupole mass spectrometer provided in this application can be applied to, for example... Figure 1 In the application environment shown, the controller 102 communicates with the quadrupole mass spectrometer 104 via a network or a communication line. The controller 102 can be a host computer or a combination of a host computer and a circuit chip.
[0041] In one embodiment, such as Figure 2 As shown, an ion scanning method based on a quadrupole mass spectrometer is provided, which is then applied to... Figure 1 Taking the controller in the example, the following steps are included:
[0042] Step 202, obtain the initial voltage;
[0043] Step 204: Determine the passing voltage corresponding to ions with different mass-to-charge ratios based on the initial voltage.
[0044] In actual operation, the system receives the initial voltage input by the user in response to the user's input operation. Specifically, the initial voltage refers to the voltage used to calculate the through voltage of the quadrupole mass spectrometer. When calculating the through voltage for the first time, the initial voltage can be used directly as the through voltage, or the corresponding through voltage can be calculated using the initial voltage. This embodiment does not limit this approach.
[0045] It should be noted that, due to the operating characteristics of the quadrupole mass spectrometer, it will allow ions with corresponding mass-to-charge ratios to pass through when different through voltages are received; therefore, in this embodiment, the through voltage corresponding to ions with different mass-to-charge ratios is determined according to the initial voltage, so that the quadrupole mass spectrometer scans ions with different mass-to-charge ratios according to the voltage step, so as to achieve segmented tuning.
[0046] Step 206: For each ion with a mass-to-charge ratio, determine the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the passing voltage.
[0047] It should be noted that the mass scan curve is affected by the slope and intercept; the slope adjustment parameter (AmuGain) refers to the parameter used to adjust the slope of the mass scan curve, and the intercept adjustment parameter (AmuOffset) refers to the parameter used to adjust the intercept of the mass scan curve. Specifically, for ions with different mass-to-charge ratios, the corresponding voltage is different; therefore, it is necessary to determine the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the voltage.
[0048] Step 208 involves sending the voltage, target slope adjustment parameters, and target intercept adjustment parameters to the quadrupole mass spectrometer so that the quadrupole mass spectrometer can determine the corresponding voltage excitation and achieve ion scanning.
[0049] In this step, after determining the through voltage and the corresponding target slope and target intercept adjustment parameters, these parameters are sent to the quadrupole mass spectrometer. The quadrupole mass spectrometer determines the corresponding voltage excitation based on the received parameters. This voltage excitation allows ions with the corresponding mass-to-charge ratio to pass through, resulting in the corresponding spectrum and achieving ion scanning. In other words, by determining the through voltage, target slope, and target intercept adjustment parameters corresponding to ions with different mass-to-charge ratios, the tuning parameters of the quadrupole mass spectrometer can be configured according to different ion mass-to-charge ratios, achieving real-time tuning, continuously optimizing the mass scan slope, and bringing it as close as possible to theoretical linearity. This adjusts the resolution and sensitivity of ions with different mass-to-charge ratios to appropriate levels, improving spectrum quality.
[0050] The aforementioned ion scanning method based on a quadrupole mass spectrometer determines the through voltage corresponding to ions with different mass-to-charge ratios based on the initial voltage value, and determines the target slope adjustment parameter and target intercept adjustment parameter corresponding to the through voltage. After sending the through voltage, target slope adjustment parameter, and target intercept adjustment parameter to the quadrupole mass spectrometer, the quadrupole mass spectrometer can adjust the mass scanning slope when scanning ions using the target slope adjustment parameter and target intercept adjustment parameter. This allows the resolution and sensitivity of ions to reach a balance, thereby making the spectrum obtained by the quadrupole mass spectrometer from scanning ions more accurate.
[0051] Based on the above embodiments, this embodiment further explains and optimizes the technical solution. Specifically, in this embodiment, the process of determining the passing voltage corresponding to ions with different mass-to-charge ratios based on the initial voltage includes:
[0052] Obtain the voltage adjustment value and the number of iterations. The number of iterations is related to the number of ions with different mass-to-charge ratios.
[0053] The initial voltage and voltage adjustment value are used for iterative calculation until the iteration number is reached to obtain the passing voltage corresponding to each mass-to-charge ratio of ions; where the initial voltage of the N+1th mass-to-charge ratio of ions is the passing voltage of the Nth mass-to-charge ratio of ions.
[0054] It should be noted that in this embodiment, the voltage adjustment value and the number of iterations are obtained further; where the voltage adjustment value refers to the difference between two adjacent through voltages, and the corresponding through voltage is calculated by iterative calculation using the initial voltage and the voltage adjustment value.
[0055] Specifically, the iteration number refers to the number of calculations performed when iterating the voltage based on the initial voltage. The iteration number is related to the number of ions with different mass-to-charge ratios. Specifically, when the initial voltage is the voltage through which ions with the first mass-to-charge ratio pass, the iteration number = the number of ions with different mass-to-charge ratios - 1. When the voltage obtained from the first iteration using the initial voltage is the voltage through which ions with the first mass-to-charge ratio pass, the iteration number = the number of ions with different mass-to-charge ratios.
[0056] In the iterative calculation process, the initial voltage of the ion with the (N+1)th mass-to-charge ratio is the through voltage of the ion with the Nth mass-to-charge ratio. Specifically, when the iterative calculation method is incremental, it means the through voltage increases by the difference using a voltage adjustment value; when the iterative calculation method is decremental, it means the through voltage decreases by the difference using a voltage adjustment value. Iterative calculations are performed using the initial voltage and voltage adjustment value until the iteration number is reached, which means successively determining the through voltage corresponding to each ion with a different mass-to-charge ratio.
[0057] As can be seen, this embodiment determines the passing voltage corresponding to ions with different mass-to-charge ratios through iterative calculation, making the determination of each passing voltage more convenient.
[0058] Based on the above embodiments, this embodiment further explains and optimizes the technical solution. Specifically, in this embodiment, for each ion with a mass-to-charge ratio, the process of determining the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the passing voltage includes:
[0059] A mapping table is pre-set that includes the correspondence between voltage values and slope adjustment parameters and intercept adjustment parameters;
[0060] For each ion with a mass-to-charge ratio, find the target slope adjustment parameter and target intercept adjustment parameter corresponding to the voltage in the mapping table.
[0061] In this embodiment, a mapping table is pre-set, which sets the correspondence between voltage values, slope adjustment parameters, and intercept adjustment parameters; that is, the slope adjustment parameters and intercept adjustment parameters corresponding to each voltage value form a set of data. It should be noted that the voltage value corresponding to a set of slope adjustment parameters and intercept adjustment parameters can be a specific value or a voltage range; this embodiment does not limit this and can be set according to actual needs. In actual operation, segment numbers can be further set in the mapping table to identify different correspondences, i.e., to identify different groups of voltage values and slope adjustment parameters and intercept adjustment parameters.
[0062] For example, one specific implementation is as follows: a mapping table is obtained by setting segment number, voltage value, slope adjustment parameter and intercept adjustment parameter according to a preset table format; the addition or subtraction of columns in the mapping table represents the addition or subtraction of different voltage values and the slope adjustment parameter and intercept adjustment parameter corresponding to the voltage value; this embodiment does not limit the specific table format of the mapping table, and the mapping table may also include other types of parameters, which this embodiment does not limit either.
[0063] After determining the passing voltage corresponding to ions with different mass-to-charge ratios, the voltage value with the same passing voltage can be found in the pre-set mapping table, or the voltage range corresponding to the passing voltage can be determined. Then, the slope adjustment parameter and intercept adjustment parameter corresponding to the determined voltage value / voltage range can be determined as the target slope adjustment parameter and target intercept adjustment parameter.
[0064] This embodiment uses a pre-set mapping table that includes the correspondence between voltage values and slope adjustment parameters and intercept adjustment parameters. By looking up the mapping table, the target slope adjustment parameters and target intercept adjustment parameters corresponding to the through voltage are determined, making the operation convenient and easy.
[0065] In a preferred embodiment, when the target slope adjustment parameter and target intercept adjustment parameter corresponding to the through voltage are not found in the mapping table, the method further includes:
[0066] The user is prompted to enter the target slope adjustment parameters and the target intercept adjustment parameters;
[0067] In response to user input, the target slope adjustment parameter and target intercept adjustment parameter corresponding to the voltage are obtained.
[0068] Specifically, in this embodiment, it is further considered that the target slope adjustment parameter and target intercept adjustment parameter corresponding to the through voltage may not exist in the pre-set mapping table. Therefore, when the corresponding target slope adjustment parameter and target intercept adjustment parameter cannot be determined from the mapping table, a corresponding prompt message is issued, prompting the user to input the target slope adjustment parameter and target intercept adjustment parameter corresponding to the through voltage. The system then obtains the target slope adjustment parameter and target intercept adjustment parameter corresponding to the through voltage in response to the user's input operation. The prompting method can be to display the corresponding prompt message while displaying the input box, or to provide prompts through a buzzer, indicator light, or voice player, etc. This embodiment does not limit the specific method used.
[0069] As can be seen, according to the method of this embodiment, the corresponding target slope adjustment parameters and target intercept adjustment parameters can be obtained for various possible voltage conditions, thereby ensuring the reliability of ion scanning using a quadrupole mass spectrometer.
[0070] It should be understood that although the steps in the flowcharts of the above embodiments are shown sequentially according to the arrows, these steps are not necessarily executed in the order indicated by the arrows. Unless explicitly stated herein, there is no strict order restriction on the execution of these steps, and they can be executed in other orders. Moreover, at least some steps in the flowcharts of the above embodiments may include multiple steps or multiple stages. These steps or stages are not necessarily completed at the same time, but can be executed at different times. The execution order of these steps or stages is not necessarily sequential, but can be performed alternately or in turn with other steps or at least some of the steps or stages in other steps.
[0071] In one embodiment, such as Figure 3 As shown, an ion scanning device based on a quadrupole mass spectrometer is provided, comprising: an acquisition module 302, a first determination module 304, a second determination module 306, and a transmission module 308, wherein:
[0072] Acquisition module 302 is used to acquire the initial voltage;
[0073] The first determining module 304 is used to determine the passing voltage corresponding to ions with different mass-to-charge ratios based on the initial voltage;
[0074] The second determining module 306 is used to determine the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the voltage for each ion with a mass-to-charge ratio.
[0075] The transmitting module 308 is used to send the voltage, target slope adjustment parameters and target intercept adjustment parameters to the quadrupole mass spectrometer so that the quadrupole mass spectrometer can determine the corresponding voltage excitation and realize ion scanning.
[0076] The ion scanning device based on a quadrupole mass spectrometer provided in this embodiment of the invention has the same beneficial effects as the aforementioned ion scanning method based on a quadrupole mass spectrometer.
[0077] In a preferred embodiment, the first determining module includes:
[0078] The acquisition submodule is used to acquire the voltage adjustment value and the number of iterations. The number of iterations is related to the number of ions with different mass-to-charge ratios.
[0079] The calculation submodule is used to perform iterative calculations using the initial voltage and voltage adjustment value until the iteration number is reached, to obtain the passing voltage corresponding to each mass-to-charge ratio of ions; wherein, the initial voltage of the N+1th mass-to-charge ratio of ions is the passing voltage of the Nth mass-to-charge ratio of ions.
[0080] In a preferred embodiment, the second determining module includes:
[0081] The configuration submodule is used to pre-set a mapping table that includes the correspondence between voltage values and slope adjustment parameters and intercept adjustment parameters;
[0082] The lookup submodule is used to find the target slope adjustment parameter and target intercept adjustment parameter corresponding to the voltage in the mapping table for each ion with a mass-to-charge ratio.
[0083] As a preferred embodiment, an ion scanning device based on a quadrupole mass spectrometer further includes:
[0084] The prompt module is used to prompt the user to input the target slope adjustment parameter and the target intercept adjustment parameter when the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the through voltage do not exist in the mapping table;
[0085] The response module is used to respond to user input operations and obtain the target slope adjustment parameters and target intercept adjustment parameters corresponding to the voltage.
[0086] In one embodiment, such as Figure 4As shown, an ion scanning system based on a quadrupole mass spectrometer is provided. The system includes a host computer 402, a circuit chip 404, and a quadrupole mass spectrometer 406.
[0087] The host computer 402 is used to respond to the user's input operation, obtain the initial voltage, voltage adjustment value and iteration number and send them to the circuit chip 404;
[0088] Circuit chip 404 is used to perform iterative calculations using the initial voltage and voltage adjustment value until the iteration number is reached, to obtain the passing voltage corresponding to ions with different mass-to-charge ratios; wherein, the initial voltage of the ion with the (N+1)th mass-to-charge ratio is the passing voltage of the ion with the Nth mass-to-charge ratio; for each mass-to-charge ratio ion, the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the passing voltage are determined; the passing voltage, the target slope adjustment parameter, and the target intercept adjustment parameter are sent to the quadrupole mass spectrometer 406;
[0089] The quadrupole mass spectrometer 406 is used to determine the corresponding voltage excitation based on the through voltage, target slope adjustment parameters, and target intercept adjustment parameters to achieve ion scanning.
[0090] Specifically, in this embodiment, the host computer 402 serves as the data transmission medium between the user and the circuit chip 404; it provides an operation window for the user to input data and sends the received data to the circuit chip 404; the data includes the initial voltage, voltage adjustment value, and iteration number. The host computer 402 can be a computer, mobile terminal, etc., and this embodiment does not limit it to this.
[0091] It should be noted that circuit chip 404 refers to a chip that implements a preset function through circuit logic. Common circuit chips 404 include FPGA (Field Programmable Gate Array) and CPLD (Complex Programmable Logic Device), etc. This embodiment does not limit the specific type of circuit chip 404. In this embodiment, after receiving the initial voltage, voltage adjustment value, and iteration number, circuit chip 404 uses the initial voltage and voltage adjustment value to perform iterative calculations until the iteration number is reached, obtaining the through voltage corresponding to ions with different mass-to-charge ratios; wherein, the initial voltage of the ion with the (N+1)th mass-to-charge ratio is the through voltage of the ion with the Nth mass-to-charge ratio; for each mass-to-charge ratio ion, the target slope adjustment parameter and target intercept adjustment parameter corresponding to the through voltage are determined; the through voltage, target slope adjustment parameter, and target intercept adjustment parameter are sent to quadrupole mass spectrometer 406. It should be noted that the above operation process of circuit chip 404 can refer to the embodiment of the ion scanning method based on quadrupole mass spectrometer described above, and will not be repeated here.
[0092] Specifically, circuit chip 404, according to the timing design logic, sends the determined through voltage, target slope adjustment parameters, and target intercept adjustment parameters to quadrupole mass spectrometer 406; specifically, it sends the above three parameters to the three DAC (digital-to-analog converter) chips of quadrupole mass spectrometer 406 respectively. More specifically, in this embodiment, multiplexed DAC channels are used to send the three parameters to the three DAC chips of quadrupole mass spectrometer 406 respectively; based on the different characteristics of the three DAC chips, sending the through voltage requires 80ns, and sending the target slope adjustment parameters and target intercept adjustment parameters each requires 50ns. Therefore, the shortest time to send the three parameters to the three DAC chips of quadrupole mass spectrometer 406 is 180ns.
[0093] Specifically, the quadrupole mass spectrometer 406 determines the corresponding voltage excitation based on the received parameters. This voltage excitation allows ions with the corresponding mass-to-charge ratio to pass through the quadrupole mass spectrometer 406, resulting in the corresponding spectrum and achieving ion scanning.
[0094] As can be seen, the ion scanning system based on a quadrupole mass spectrometer provided in this embodiment, while achieving the beneficial effects of the aforementioned ion scanning method based on a quadrupole mass spectrometer, further utilizes a circuit chip to perform iterative calculations and find the corresponding target slope adjustment parameters and target intercept adjustment parameters. The circuit chip is a hardware design with strong platform portability, fast and stable operation speed, reaching the nanosecond level, avoiding the occupation of the host computer's CPU computing resources and reducing the computational load of the host computer when performing ion scanning based on a quadrupole mass spectrometer.
[0095] Based on the above embodiments, this embodiment further explains and optimizes the technical solution. Specifically, in this embodiment, the host computer is also used to respond to the user's input operation, obtain a mapping table including the correspondence between voltage value and slope adjustment parameter and intercept adjustment parameter, and send it to the circuit chip.
[0096] For each ion with a mass-to-charge ratio, the circuit chip looks up the target slope adjustment parameter and target intercept adjustment parameter corresponding to the voltage in the mapping table.
[0097] Specifically, the host computer obtains a mapping table that includes the correspondence between voltage values and slope adjustment parameters and intercept adjustment parameters, and sends the mapping table to the circuit chip; after receiving the mapping table, the circuit chip stores it according to the format of the storage unit.
[0098] More specifically, when the circuit chip is an FPGA, the internal logic resources of the FPGA are used to design a storage unit grouped by segment number, voltage value, slope adjustment parameter and intercept adjustment parameter, and a master-slave calling relationship is set between each parameter; and the FPGA stores each group of parameters in an orderly manner according to the received mapping table, and the size can be determined according to the number of voltage values.
[0099] Correspondingly, for each ion with a mass-to-charge ratio, each time the pass voltage is determined, the circuit chip uses the pass voltage to automatically query the mapping table stored in the storage unit to match the corresponding target slope adjustment parameters and target intercept adjustment parameters.
[0100] As can be seen, this embodiment pre-sets a mapping table that includes the correspondence between voltage values and slope adjustment parameters and intercept adjustment parameters, and sends it to the circuit chip. The circuit chip determines the target slope adjustment parameters and target intercept adjustment parameters corresponding to the through voltage by looking up the mapping table, making the operation convenient and easy.
[0101] In a preferred embodiment, the host computer sends the mapping table to the circuit chip in a preset format according to the transmission protocol with the circuit chip.
[0102] Understandably, for the host computer and the circuit chip to transmit information, a corresponding transmission protocol needs to be set up so that the host computer can transmit various data information to the circuit chip according to the transmission protocol. The data information includes initial voltage, voltage adjustment value, iteration number, and mapping table, etc. Specifically, the host computer sends the mapping table to the circuit chip according to a preset format, and the circuit chip stores the mapping table according to the storage format of the storage unit.
[0103] As can be seen, in this embodiment, the host computer sends the mapping table to the circuit chip in a preset format according to the transmission protocol, making the data transmission process more stable and reliable.
[0104] Based on the above embodiments, this embodiment further explains and optimizes the technical solution. Specifically, in this embodiment, when there are no target slope adjustment parameters and target intercept adjustment parameters corresponding to the through voltage in the mapping table, the circuit chip also sends indication information to the host computer.
[0105] The host computer receives the target slope adjustment parameters and target intercept adjustment parameters corresponding to the through voltage from the user, based on the instruction information, and sends them to the circuit chip.
[0106] Specifically, in this embodiment, it is further considered that the target slope adjustment parameter and target intercept adjustment parameter corresponding to the through voltage may not exist in the pre-set mapping table. Therefore, when the corresponding target slope adjustment parameter and target intercept adjustment parameter cannot be determined from the mapping table, the circuit chip first sends an instruction message to the host computer. The instruction message is used to instruct the host computer to obtain the target slope adjustment parameter and target intercept adjustment parameter corresponding to the through voltage.
[0107] After receiving the instruction information, the host computer prompts the user to input the target slope adjustment parameters and target intercept adjustment parameters by displaying input boxes or issuing prompts. In response to the user's input, the host computer obtains the target slope adjustment parameters and target intercept adjustment parameters corresponding to the through voltage and sends them to the circuit chip. This allows the circuit chip to send the through voltage and the corresponding target slope adjustment parameters and target intercept adjustment parameters to the quadrupole mass spectrometer.
[0108] As can be seen, according to the method of this embodiment, the corresponding target slope adjustment parameters and target intercept adjustment parameters can be obtained for various possible voltage conditions, thereby ensuring the reliability of ion scanning using a quadrupole mass spectrometer.
[0109] Based on the above embodiments, this embodiment further explains and optimizes the technical solution. Specifically, in this embodiment, after receiving the clearing instruction from the host computer, the circuit chip clears the corresponding data information according to the clearing instruction.
[0110] Understandably, the data stored in the circuit chip includes the initial voltage, voltage adjustment value, iteration number, and mapping table sent by the host computer, as well as the various pass voltages calculated based on the initial voltage and voltage adjustment value. In actual operation, there is a need to clear the data in the circuit chip to reset it.
[0111] Specifically, the host computer receives a clear command input by the user, or determines the corresponding clear command through a timer; then it sends the clear command to the circuit chip. After receiving the clear command, the circuit chip clears the corresponding data information according to the clear command. It should be noted that the clear command can instruct the clearing of a portion of the specified data information in the circuit chip, or it can instruct the clearing of all the data information in the circuit chip; this embodiment does not limit this.
[0112] As can be seen, this embodiment uses a host computer to send a clear command to clear the data information in the circuit chip, which can further improve the operating performance of the circuit chip.
[0113] Based on the above-mentioned ion scanning system based on a quadrupole mass spectrometer, taking an FPGA as an example, a specific implementation method is as follows:
[0114] When the host computer and FPGA are connected, configure the transmission protocol between them.
[0115] The host computer sends a clear command to the FPGA. After receiving the clear command from the host computer, the FPGA clears all data information according to the clear command.
[0116] Users configure different segment numbers, voltage values, slope adjustment parameters, and intercept adjustment parameters in a table format in the input window of the host computer to obtain a mapping table; the host computer sends the mapping table to the FPGA in a preset format according to the transmission protocol;
[0117] The FPGA installation design allocates storage resources and stores the received mapping table according to the storage format of the storage unit;
[0118] When the quadrupole mass spectrometer is ready to operate, the host computer receives the initial voltage, voltage adjustment value and iteration number input by the user, and sends them to the circuit chip according to the preset format based on the transmission protocol.
[0119] The circuit chip uses the initial voltage and voltage adjustment value to perform iterative calculations until the iteration number is reached, and obtains the passing voltage corresponding to ions with different mass-to-charge ratios; wherein, the initial voltage of the ion with the (N+1)th mass-to-charge ratio is the passing voltage of the ion with the Nth mass-to-charge ratio; for each ion with a mass-to-charge ratio, the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the passing voltage are determined; the passing voltage, the target slope adjustment parameter, and the target intercept adjustment parameter are sent to the quadrupole mass spectrometer;
[0120] The quadrupole mass spectrometer is used to determine the corresponding voltage excitation based on the through voltage, target slope adjustment parameters, and target intercept adjustment parameters to achieve ion scanning.
[0121] As can be seen, ion scanning using a quadrupole mass spectrometer-based ion scanning system determines the through voltage corresponding to ions with different mass-to-charge ratios based on the initial voltage value, and then determines the target slope adjustment parameters and target intercept adjustment parameters corresponding to the through voltage. After sending the through voltage, target slope adjustment parameters, and target intercept adjustment parameters to the quadrupole mass spectrometer, the quadrupole mass spectrometer can adjust the mass scanning slope during ion scanning using the target slope adjustment parameters and target intercept adjustment parameters, thereby achieving a balance between ion resolution and sensitivity, resulting in more accurate spectral data obtained by the quadrupole mass spectrometer. Furthermore, the circuit chip is used to perform iterative calculations and find the target slope adjustment parameters and target intercept adjustment parameters corresponding to each through voltage. The circuit chip is a hardware design with strong platform portability, fast and stable operation speed (reaching the nanosecond level), avoiding the occupation of the host computer's CPU computing resources and reducing the computational load on the host computer when performing ion scanning based on the quadrupole mass spectrometer.
[0122] Those skilled in the art will understand that all or part of the processes in the methods of the above embodiments can be implemented by a computer program instructing related hardware. The computer program can be stored in a non-volatile computer-readable storage medium, and when executed, it can include the processes of the embodiments of the methods described above. Any references to memory, storage, databases, or other media used in the embodiments provided in this application can include at least one of non-volatile and volatile memory. Non-volatile memory can include read-only memory (ROM), magnetic tape, floppy disk, flash memory, or optical storage, etc. Volatile memory can include random access memory (RAM) or external cache memory. By way of illustration and not limitation, RAM can be in various forms, such as static random access memory (SRAM) or dynamic random access memory (DRAM), etc.
[0123] The technical features of the above embodiments can be combined in any way. For the sake of brevity, not all possible combinations of the technical features in the above embodiments are described. However, as long as there is no contradiction in the combination of these technical features, they should be considered to be within the scope of this specification.
[0124] The embodiments described above are merely illustrative of several implementation methods of this application, and while the descriptions are relatively specific and detailed, they should not be construed as limiting the scope of the invention patent. It should be noted that those skilled in the art can make various modifications and improvements without departing from the concept of this application, and these all fall within the protection scope of this application. Therefore, the protection scope of this patent application should be determined by the appended claims.
Claims
1. A method of ion scanning based on a quadrupole mass spectrometer, characterized by, The method includes: Obtain the initial voltage; The passing voltage corresponding to ions with different mass-to-charge ratios is determined based on the initial voltage; For each ion with a mass-to-charge ratio, determine the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the voltage applied. The voltage, the target slope adjustment parameter, and the target intercept adjustment parameter are sent to the quadrupole mass spectrometer so that the quadrupole mass spectrometer can determine the corresponding voltage excitation and realize ion scanning. The process of determining the target slope adjustment parameter and target intercept adjustment parameter corresponding to the applied voltage for each ion with a mass-to-charge ratio includes: A mapping table is pre-set to correspond to the segment number, voltage value, slope adjustment parameter, and intercept adjustment parameter; For each ion with a mass-to-charge ratio, the segment number corresponding to the through voltage is found in the mapping table, and the target slope adjustment parameter and target intercept adjustment parameter corresponding to the through voltage are determined based on the segment number.
2. The method of claim 1, wherein, The process of determining the passing voltage corresponding to ions with different mass-to-charge ratios based on the initial voltage includes: Obtain the voltage adjustment value and the number of iterations, wherein the number of iterations is related to the number of ions with different mass-to-charge ratios; The initial voltage and the voltage adjustment value are used to perform iterative calculations until the number of iterations is reached, so as to obtain the passing voltage corresponding to each mass-to-charge ratio of ions; wherein, the initial voltage of the N+1th mass-to-charge ratio of ions is the passing voltage of the Nth mass-to-charge ratio of ions.
3. The method of claim 1, wherein, When the target slope adjustment parameter and target intercept adjustment parameter corresponding to the through voltage do not exist in the mapping table, the method further includes: The user is prompted to input the target slope adjustment parameter and the target intercept adjustment parameter; In response to the user's input operation, the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the through voltage are obtained.
4. An ion scanning device based on a quadrupole mass spectrometer, characterized by, The device includes: The acquisition module is used to acquire the initial voltage; The first determining module is used to determine the passing voltage corresponding to ions with different mass-to-charge ratios based on the initial voltage; The second determining module is used to determine the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the voltage for each ion with a mass-to-charge ratio; wherein, a mapping table including the correspondence between segment number, voltage value and slope adjustment parameter and intercept adjustment parameter is preset; For each ion with a mass-to-charge ratio, the segment number corresponding to the through voltage is found in the mapping table, and the target slope adjustment parameter and target intercept adjustment parameter corresponding to the through voltage are determined based on the segment number. The transmitting module is used to send the through voltage, the target slope adjustment parameter, and the target intercept adjustment parameter to the quadrupole mass spectrometer so that the quadrupole mass spectrometer can determine the corresponding voltage excitation and realize ion scanning.
5. A quadrupole mass spectrometer-based ion scan system, characterized by, The system includes a host computer, circuit chips, and a quadrupole mass spectrometer; The host computer is used to respond to user input operations, acquire the initial voltage, voltage adjustment value and iteration number and send them to the circuit chip; The circuit chip is used to perform iterative calculations using the initial voltage and the voltage adjustment value until the iteration number is reached, to obtain the passing voltage corresponding to ions with different mass-to-charge ratios; wherein, the initial voltage of the (N+1)th mass-to-charge ratio ion is the passing voltage of the Nth mass-to-charge ratio ion; a mapping table including the correspondence between segment number, voltage value and slope adjustment parameter, and intercept adjustment parameter is preset; for each mass-to-charge ratio ion, the segment number corresponding to the passing voltage is found in the mapping table, and the target slope adjustment parameter and target intercept adjustment parameter corresponding to the passing voltage are determined according to the segment number; the passing voltage, the target slope adjustment parameter, and the target intercept adjustment parameter are sent to the quadrupole mass spectrometer; The quadrupole mass spectrometer is used to determine the corresponding voltage excitation based on the through voltage, the target slope adjustment parameter, and the target intercept adjustment parameter to achieve ion scanning.
6. The system of claim 5, wherein, The host computer is also used to respond to user input operations, obtain a mapping table including the correspondence between voltage values and slope adjustment parameters and intercept adjustment parameters, and send it to the circuit chip; For each ion with a mass-to-charge ratio, the circuit chip looks up the target slope adjustment parameter and target intercept adjustment parameter corresponding to the passing voltage in the mapping table.
7. The system of claim 6, wherein, The host computer sends the mapping table to the circuit chip in a preset format according to the transmission protocol with the circuit chip.
8. The system of claim 6, wherein, When the target slope adjustment parameter and target intercept adjustment parameter corresponding to the through voltage do not exist in the mapping table, the circuit chip also sends an indication message to the host computer; The host computer receives the target slope adjustment parameter and the target intercept adjustment parameter corresponding to the through voltage from the user according to the instruction information, and sends them to the circuit chip.
9. The system according to any one of claims 5 to 8, characterized in that, After receiving the clearing command from the host computer, the circuit chip clears the corresponding data information according to the clearing command.