Method, device, equipment, medium and program product for testing a mass spectrometer acquisition card and optimizing instrument parameters

Abstract

The present invention discloses a method, device, equipment, medium and program product for testing a mass spectrometer acquisition card and optimizing instrument parameters, belonging to the technical field of mass spectrometry detection. The method includes S1: performing single-module testing on the data acquisition card; S11: comparing the difference between the measured value and the specified value of the parameters of the acquisition card to determine whether the sampling rates are consistent; S12: corresponding different operations according to the comparison result of the sampling rates; S2: performing whole-machine testing; S21: comparing the mass-to-charge ratio of the characteristic peaks of the spectrum collected by the acquisition card with its flight time, and corresponding different operations according to the comparison result; S22: performing instrument performance testing to detect the resolution of the collected characteristic peaks; corresponding different operations according to the test results; S3: solidifying parameters. The above method can make the acquisition card compatible with the mass spectrometer and optimize the performance of the mass spectrometer, which is beneficial to improving the resolution of the mass spectrometer, stabilizing the instrument detection limit, and making it easier to obtain results.

Description

Technical Field

[0001] The present invention relates to the technical field of mass spectrometry detection. Specifically, it relates to a method, device, equipment, medium and program product for testing a mass spectrometer acquisition card and optimizing instrument parameters. Background Art

[0002] A mass spectrometer generally consists of an inlet system, an ion source, a mass analyzer, a vacuum system, and a computer control and data processing system, etc. The computer control and data processing system includes signal acquisition and mass spectrometry spectrum plotting. The spectrum of a mass spectrometer is obtained by converting the analog signal of ion information detected by a detector into a digital signal through an acquisition card and outputting it to a host computer for parsing and plotting.

[0003] With the improvement of requirements for instrument performance, the requirements for the integrity and accuracy of signals collected by the instrument have been further increased.

[0004] However, during the detection process of current mass spectrometers, the resolution of some characteristic peaks is low, the detection limit of the instrument is unstable, and it is not easy to obtain results.

[0005] In view of this, the present invention is specifically proposed. Summary of the Invention

[0006] One of the objectives of the present invention is to provide a method for testing a mass spectrometer acquisition card and optimizing instrument parameters, which can make the acquisition card compatible with the mass spectrometer and optimize the performance of the mass spectrometer, is beneficial to improving the resolution of the mass spectrometer, making the detection limit of the instrument stable, and making it easier to obtain results.

[0007] Another objective of the present invention is to provide a device for testing a mass spectrometer acquisition card and optimizing instrument parameters for running the above method.

[0008] A further objective of the present invention is to provide equipment for testing a mass spectrometer acquisition card and optimizing instrument parameters corresponding to the above method.

[0009] Another objective of the present invention is to provide a computer-readable storage medium corresponding to the above method.

[0010] A further objective of the present invention is to provide a computer program product corresponding to the above method.

[0011] The present application can be implemented as follows:

[0012] In a first aspect, the present application provides a method for testing a mass spectrometer acquisition card and optimizing instrument parameters, including the following steps:

[0013] S1: Conduct single-module testing of the data acquisition card;

[0014] S11: Compare the difference between the measured value and the specified value of the parameters of the acquisition card, and determine whether the sampling rates are consistent;

[0015] S12: Perform operations in the following ways according to the comparison result of the sampling rates:

[0016] Method 1: If the comparison results of the sampling rates are consistent, proceed to the next step;

[0017] Method 2: If the comparison results of the sampling rates are inconsistent, reselect the acquisition card or optimize the parameters of the instrument acquisition software, and then proceed to the next step;

[0018] S2: Whole machine test;

[0019] S21: Compare the mass-to-charge ratio of the characteristic peaks of the spectrogram collected by the acquisition card with its flight time, and perform operations in the following ways according to the comparison result:

[0020] Method 1: If the mass-to-charge ratio is consistent with the flight time, determine whether the collected signal is complete;

[0021] If the collected signal is complete, proceed to the next step;

[0022] If the collected signal is incomplete, adjust the parameters of the acquisition card until the effective signal collected by the acquisition card is complete, and then proceed to the next step;

[0023] Method 2: If the mass-to-charge ratio is inconsistent with the flight time, compare the difference between the mass-to-charge ratio and the flight time, and adjust the settings of the acquisition software of the data acquisition card until the mass-to-charge ratio is consistent with the flight time and the collected signal is complete, and then proceed to the next step;

[0024] S22: Perform an instrument performance test to detect the resolution of the collected characteristic peaks; perform operations in the following ways according to the test result:

[0025] Method 1: If the performance test result meets the standard, proceed to the next step;

[0026] Method 2: If the performance test result does not meet the standard, adjust the hardware parameters of the instrument and / or the acquisition parameters of the data acquisition card until it meets the standard, and then proceed to the next step;

[0027] S3: Solidify the parameters.

[0028] In an optional implementation, the parameters of the acquisition card further include at least one of range, accumulation function, and signal-to-noise ratio.

[0029] In an optional implementation, in Method 1 of S22, if the performance test result meets the standard, it further includes continuously adjusting the hardware parameters of the instrument and / or the acquisition parameters of the data acquisition card to further optimize the parameters of the instrument.

[0030] In an alternative embodiment, the criteria in S22 include: a mass range of 1 amu - 650 amu; a resolution ≥ 800 FWHM; a dynamic linear range R 2 > 0.99; a detection limit ≤ 0.1 ppb; a response time < 10 s; a mass stability of -0.05 amu to 0.05 amu; a mass accuracy of -0.05 amu to 0.05 amu; a maximum mass offset < 5% / 12 h; a repeatability RSD < 5%.

[0031] In an alternative embodiment, after S3, it further includes performing S4: dynamically selecting the range gear of the data acquisition card according to the different concentrations of the introduced calibration gas.

[0032] In an alternative embodiment, S4 includes: introducing calibration gas to obtain the peak intensity X of the effective spectrum collected by the acquisition card, and correspondingly performing operations in the following manner:

[0033] Method 1: If the peak intensity X simultaneously satisfies X - 0.8 FSR < 0 and X - 0.5 FSR > 0, it is considered that the range gear of the acquisition card is properly selected, and the acquisition card gear is fixed;

[0034] Method 2: If the peak intensity X satisfies X - 0.8 FSR > 0, it is considered that the current range gear of the acquisition card is too small, and then the range gear of the acquisition card is increased until the peak intensity X simultaneously satisfies X - 0.8 FSR < 0 and X - 0.5 FSR > 0, and the acquisition card gear is fixed;

[0035] Method 3: If the peak intensity X satisfies X - 0.8 FSR < 0 but does not satisfy X - 0.5 FSR > 0, it is considered that the range gear of the acquisition card is too large, and then the range gear of the acquisition card is decreased until the peak intensity X simultaneously satisfies X - 0.8 FSR < 0 and X - 0.5 FSR > 0, and the acquisition card gear is fixed.

[0036] In an alternative embodiment, the gears of the data acquisition card are divided into the following five gears: 0.05 V, 0.1 V, 0.2 V, 0.5 V, and 1 V; or divided into the following five gears: 0.25 V, 0.5 V, 1 V, 2.5 V, and 5 V.

[0037] In a second aspect, the present application further provides a mass spectrometer acquisition card test and instrument parameter optimization device for operating the method according to any one of the foregoing embodiments. The device includes:

[0038] A single-module test module for performing a single-module test on the data acquisition card in S1;

[0039] An overall machine test module for performing an overall machine test in S2;

[0040] A parameter curing module for curing the parameters in S3.

[0041] In an alternative embodiment, the above device further includes a dynamic range selection module for dynamically selecting the range of the data acquisition card in S4.

[0042] In a third aspect, the present application also provides a mass spectrometer acquisition card testing and instrument parameter optimization device, which includes: a processor and a memory storing computer program instructions;

[0043] When the processor executes the computer program instructions, it implements the method for mass spectrometer acquisition card testing and instrument parameter optimization according to any one of the foregoing embodiments.

[0044] In a fourth aspect, the present application also provides a computer-readable storage medium, on which computer program instructions are stored, and when the computer program instructions are executed by a processor, the method for mass spectrometer acquisition card testing and instrument parameter optimization according to any one of the foregoing embodiments is implemented.

[0045] In a fifth aspect, the present application also provides a computer program product, and when the instructions in the computer program product are executed by a processor of an electronic device, the electronic device is caused to execute the method for mass spectrometer acquisition card testing and instrument parameter optimization according to any one of the foregoing embodiments.

[0046] The beneficial effects of the present application include:

[0047] The method provided by the present application improves the sampling rate of the acquisition card of the instrument and resets the parameters of the instrument and the acquisition card to meet the requirements of improving the integrity and accuracy of the signals collected by the instrument, thereby improving the performance of the mass spectrometer. Specifically, this method is conducive to improving the resolution of the mass spectrometer, stabilizing the detection limit of the instrument, and making it easier to obtain results. Description of the Drawings

[0048] In order to more clearly illustrate the technical solutions of the embodiments of the present invention, the following will briefly introduce the drawings required for the embodiments. It should be understood that the following drawings only show some embodiments of the present invention, and therefore should not be regarded as limiting the scope. For those of ordinary skill in the art, other related drawings can be obtained based on these drawings without creative efforts.

[0049] Figure 1 It is a flowchart of S1 to S3 in the method for mass spectrometer acquisition card testing and instrument parameter optimization provided by the present application;

[0050] Figure 2 It is a flowchart of S4 in the method for mass spectrometer acquisition card testing and instrument parameter optimization provided by the present application;

[0051] Figure 3A structural block diagram of the mass spectrometer acquisition card testing and instrument parameter optimization device provided in this application;

[0052] Figure 4 This is a structural block diagram of the mass spectrometer acquisition card testing and instrument parameter optimization equipment provided in this application.

[0053] Icons: 100 - mass spectrometer acquisition card test and instrument parameter optimization device; 110 - single module test module; 120 - whole machine test module; 130 - parameter solidification module; 140 - dynamic range selection module; 200 - bus; 201 - processor; 202 - memory; 203 - communication interface. DETAILED DESCRIPTION

[0054] In order to make the purpose, technical scheme and advantages of the embodiments of the present invention clearer, the technical scheme in the embodiments of the present invention will be described clearly and completely below. If the specific conditions are not specified in the embodiments, they are carried out according to conventional conditions or conditions recommended by the manufacturer. If the manufacturer of the reagents or instruments used is not specified, they are all conventional products that can be purchased commercially.

[0055] The following is a detailed description of the method, device, equipment, medium and program product for mass spectrometer acquisition card testing and instrument parameter optimization provided by the present application.

[0056] The present application proposes a method for testing a mass spectrometer acquisition card and optimizing instrument parameters. The method mainly improves the sampling rate of the instrument's acquisition card and resets the parameters of the instrument and the acquisition card to achieve the requirements of improving the integrity and accuracy of the signal collected by the instrument, thereby improving the performance of the mass spectrometer.

[0057] For reference, Figure 1 As shown, the above method comprises the following steps:

[0058] S1: Perform single module test on the data acquisition card.

[0059] Specifically, they may include:

[0060] S11: Compare the difference between the measured value of the parameter of the acquisition card and the described value of the parameter to determine whether the sampling rates are consistent.

[0061] In this step, the parameters of the acquisition card may exemplarily but not limitatively include sampling rate, and at least one of range, accumulation function and signal-to-noise ratio.

[0062] S12: Perform the following operations according to the comparison result of the sampling rates:

[0063] Method 1: If the comparison results of the sampling rates are consistent, proceed to the next step;

[0064] Method 2: If the comparison results of the sampling rates are inconsistent, reselect the acquisition card or optimize the acquisition software parameters of the instrument, and proceed to the next step;

[0065] That is to say, in Method 2, it can be to reselect the acquisition card, or to optimize the acquisition software parameters of the instrument without reselecting the acquisition card. The preferred method is to reselect the acquisition card.

[0066] After reselecting the acquisition card, repeat the above steps S11 and S12 until the sampling rate is consistent with the comparison results and then proceed to the next step.

[0067] S2: Overall machine test, which can be understood as installing the determined acquisition card onto the instrument to conduct the compatibility test of the data acquisition card and the instrument and the overall performance test of the instrument.

[0068] Specifically, it may include:

[0069] S21: Compare the mass-to-charge ratio of the characteristic peaks of the spectrum collected by the acquisition card with its flight time, and perform operations in the following ways according to the comparison results:

[0070] Method 1: If the mass-to-charge ratio is consistent with the flight time, determine whether the collected signal is complete;

[0071] If the collected signal is complete, proceed to the next step;

[0072] If the collected signal is incomplete, adjust the parameters of the acquisition card until the effective signal collected by the acquisition card is complete, and then proceed to the next step;

[0073] Method 2: If the mass-to-charge ratio is inconsistent with the flight time, compare the difference between the mass-to-charge ratio and the flight time, adjust the settings of the acquisition software of the data acquisition card, and then repeat the above steps of S21 until the mass-to-charge ratio is consistent with the flight time and the collected signal is complete, and then proceed to the next step.

[0074] S22: Conduct the instrument performance test to detect the resolution of the collected characteristic peaks; perform operations in the following ways according to the test results:

[0075] Method 1: If the performance test results meet the standards, proceed to the next step;

[0076] In some alternative embodiments, it is also possible to further adjust the hardware parameters of the instrument and / or the acquisition parameters of the data acquisition card on the basis that the performance test results meet the standards to further optimize the parameters of the instrument, improve the performance of the instrument, and even update the enterprise standards of the instrument.

[0077] Method 2: If the test results do not meet the standards, adjust the hardware parameters of the instrument and / or the acquisition parameters of the data acquisition card, and retest until the standards are met, and then proceed to the next step.

[0078] The detection indicators involved in the above standards may include, by way of example but not limitation: mass range, resolution, dynamic linear range (R 2 ), detection limit, response time, mass stability, mass accuracy, stability, and repeatability, etc.

[0079] The corresponding index requirements can be referred to as follows: the mass range is 1 amu - 650 amu; the resolution ≥ 800 FWHM; the dynamic linear range R 2 > 0.99; the detection limit ≤ 0.1 ppb; the response time < 10 s; the mass stability is -0.05 amu to 0.05 amu; the mass accuracy is -0.05 amu to 0.05 amu; the maximum mass offset < 5% / 12 h; the repeatability RSD < 5%.

[0080] It should be noted that if it fails to meet the requirements after multiple tests, it can be considered to stop the test of this data acquisition card.

[0081] S3: Curing parameters.

[0082] The inventor further proposed that in the instrument performance test, for testing the dynamic range of an on-line volatile organic matter spectrometer, the method of setting the range gear of the data acquisition card adaptively can be used to better adapt to the phenomena of different concentrations and intensities of the standard gas introduced into the instrument. Through this method, the range of the gas concentration collected by the instrument can be expanded, and the resolution of the characteristic peaks of the instrument can be improved.

[0083] Correspondingly, the method provided in this application can, after S3, perform S4 (taking the test of the dynamic range of an on-line volatile organic matter spectrometer as an example): Dynamically select the range gear of the data acquisition card according to the different concentrations of the standard gas introduced.

[0084] For reference, please refer to Figure 2 , S4 includes: introducing the standard gas, obtaining the highest peak intensity X of the effective spectrogram collected by the acquisition card, and then performing operations in the following ways correspondingly:

[0085] Method 1: If the highest peak intensity X simultaneously satisfies X - 0.8 FSR < 0 and X - 0.5 FSR > 0, it is considered that the range gear selection of the acquisition card is appropriate, and the acquisition card gear is fixed;

[0086] Method 2: If the highest peak intensity X satisfies X - 0.8 FSR > 0, it is considered that the current range gear of the acquisition card is too small, and then the range gear of the acquisition card is increased until the highest peak intensity X simultaneously satisfies X - 0.8 FSR < 0 and X - 0.5 FSR > 0, and the acquisition card gear is fixed;

[0087] Method 3: If the peak intensity X satisfies X - 0.8FSR < 0 but does not satisfy X - 0.5FSR > 0, it is considered that the range gear of the acquisition card is too large. Then, reduce the range gear of the acquisition card until the peak intensity X satisfies both X - 0.8FSR < 0 and X - 0.5FSR > 0, and fix the acquisition card gear.

[0088] Among them, FSR is the abbreviation of Full Scale Range.

[0089] In some alternative embodiments, the gears of the data acquisition card can be divided into the following five gears: 0.05V, 0.1V, 0.2V, 0.5V, and 1V. In other alternative embodiments, the gears of the data acquisition card can also be divided into the following five gears: 0.25V, 0.5V, 1V, 2.5V, and 5V. In addition, it is not excluded that other gears can be set according to needs.

[0090] After S4, further observe the instrument performance test results of the acquisition card, and based on this test result, comprehensively consider the necessity of selecting or replacing the acquisition card.

[0091] Continuing from the above, the method provided in this application enables the mass spectrometry instrument to select a suitable data acquisition card according to different test samples, and through verification tests, further improve the performance of the mass spectrometry instrument (such as the resolution of the mass spectrometer), and solidify the acquisition card parameters and instrument parameters for repeated use. At the same time, the dynamic range of mass spectrometry instrument detection can be expanded.

[0092] Correspondingly, please refer to Figure 3 , this application also provides a mass spectrometer acquisition card test and instrument parameter optimization device 100 for running the above method. The device includes:

[0093] Single-module test module 110, used to perform the single-module test of the data acquisition card in S1;

[0094] Whole-machine test module 120, used to perform the whole-machine test in S2;

[0095] Parameter solidification module 130, used to solidify the parameters in S3.

[0096] In an alternative embodiment, the above device further includes a dynamic range gear selection module 140, used to perform the dynamic selection of the range gear of the data acquisition card in S4.

[0097] The specific processes and other contents in the above steps can all refer to the method for mass spectrometer acquisition card test and instrument parameter optimization above, and will not be elaborated here.

[0098] In addition, please refer to Figure 4, this application also provides a mass spectrometer acquisition card testing and instrument parameter optimization device, which includes: a processor 201 and a memory 202 storing computer program instructions;

[0099] When the processor 201 executes the computer program instructions, it implements the above-mentioned method for testing the mass spectrometer acquisition card and optimizing the instrument parameters.

[0100] Specifically, the above-mentioned processor 201 may include a central processing unit 201 (CPU), or an application specific integrated circuit (ASIC), or one or more integrated circuits configured to implement the embodiments of the present application.

[0101] The memory 202 may include a mass storage for data or instructions. By way of example and not limitation, the memory 202 may include a hard disk drive (HDD), a floppy disk drive, a flash memory, an optical disc, a magneto-optical disc, a magnetic tape, or a universal serial bus 200 (USB) drive or a combination of two or more of these. In a suitable case, the memory 202 may include a removable or non-removable (or fixed) medium. In a suitable case, the memory 202 may be internal or external to the integrated gateway disaster recovery device. In a specific embodiment, the memory 202 is a non-volatile solid state memory 202.

[0102] The memory 202 may include a read only memory 202 (ROM), a random access memory 202 (RAM), a disk storage media device, an optical storage media device, a flash memory device, an electrical, optical, or other physical / tangible memory 202 storage device. Thus, generally, the memory 202 includes one or more tangible (non-transitory) computer-readable storage media (e.g., memory 202 devices) encoded with software including computer-executable instructions, and when the software is executed (e.g., by one or more processors 201), it is operable to perform the operations described with reference to the above method according to the present application.

[0103] The processor 201 realizes the above method by reading and executing the computer program instructions stored in the memory 202.

[0104] Further, the electrolyte design device may further include a communication interface 203 and a bus 200. The processor 201, the memory 202, and the communication interface 203 are connected through the bus 200 and complete communication with each other.

[0105] Among them, the communication interface 203 is mainly used to realize communication between the various modules, devices, units, and / or devices in the embodiments of the present application.

[0106] The bus 200 includes hardware, software, or both, and couples components of the online data flow metering device to each other. By way of example and not limitation, the bus 200 may include an Accelerated Graphics Port (AGP) or other graphics bus 200, an Enhanced Industry Standard Architecture (EISA) bus 200, a Front Side Bus 200 (FSB), a HyperTransport (HT) interconnect, an Industry Standard Architecture (ISA) bus 200, an InfiniBand interconnect, a Low Pin Count (LPC) bus 200, a Memory 202 bus 200, a MicroChannel Architecture (MCA) bus 200, a Peripheral Component Interconnect (PCI) bus 200, a PCI-Express (PCI-X) bus 200, a Serial Advanced Technology Attachment (SATA) bus 200, a Video Electronics Standards Association Local (VLB) bus 200, or other suitable bus 200, or a combination of two or more of these. Where appropriate, the bus 200 may include one or more buses 200. Although embodiments of the present application describe and illustrate specific buses 200, the present application contemplates any suitable bus 200 or interconnect.

[0107] In addition, in combination with the above method for mass spectrometer acquisition card testing and instrument parameter optimization, the present application also provides a computer-readable storage medium for implementation.

[0108] Computer program instructions are stored on the computer-readable storage medium, and the computer program instructions are executed by the processor 201 to perform the above method for mass spectrometer acquisition card testing and instrument parameter optimization.

[0109] It should be clear that the present application is not limited to the specific configurations and processes described above and illustrated in the figures. For the sake of brevity, detailed descriptions of known methods are omitted here. In the above embodiments, several specific steps are described and illustrated as examples. However, the method process of the present application is not limited to the specific steps described and illustrated, and those skilled in the art can make various changes, modifications, and additions, or change the order between steps after understanding the spirit of the present application.

[0110] The functional blocks shown in the above-described structural block diagrams can be implemented as hardware, software, firmware, or a combination thereof. When implemented in hardware, it can be, for example, an electronic circuit, an application-specific integrated circuit (ASIC), appropriate firmware, a plug-in, a functional card, and so on. When implemented in software, the elements of the present application are programs or code segments for performing the required tasks. The program or code segment can be stored in a machine-readable medium or transmitted over a transmission medium or communication link via a data signal carried in a carrier wave. "Machine-readable medium" can include any medium capable of storing or transmitting information. Examples of machine-readable media include electronic circuits, semiconductor memory devices, ROM, flash memory, erasable ROM (EROM), floppy disks, CD-ROMs, optical discs, hard disks, fiber optic media, radio frequency (RF) links, and so on. The code segment can be downloaded via a computer network such as the Internet, an intranet, and so on.

[0111] It should also be noted that in the exemplary embodiments mentioned in the present application, some methods or systems are described based on a series of steps or devices. However, the present application is not limited to the order of the above steps, that is, the steps can be executed in the order mentioned in the embodiments, can be different from the order in the embodiments, or several steps can be executed simultaneously.

[0112] Aspects of the present disclosure have been described above with reference to the flowcharts and / or block diagrams of methods, apparatuses (systems), and computer program products according to embodiments of the present disclosure. It should be understood that each block in the flowcharts and / or block diagrams, and the combinations of blocks in the flowcharts and / or block diagrams, can be implemented by computer program instructions. These computer program instructions can be provided to a processor 201 of a general-purpose computer, a special-purpose computer, or other programmable data processing device to produce a machine such that the instructions executed by the processor 201 of the computer or other programmable data processing device enable the implementation of the functions / actions specified in one or more blocks of the flowchart and / or block diagram. Such a processor 201 can be, but is not limited to, a general-purpose processor 201, a special-purpose processor 201, a special application processor 201, or a field-programmable logic circuit. It should also be understood that each block in the block diagrams and / or flowcharts, and the combinations of blocks in the block diagrams and / or flowcharts, can also be implemented by dedicated hardware that performs the specified functions or actions, or can be implemented by a combination of dedicated hardware and computer instructions.

[0113] Experimental Example

[0114] Taking the acquisition of standard gas (standard gas) by an on-line volatile organic matter spectrometer as an example, the instrument performance after replacing the original acquisition card 1 with a new acquisition card 2 was tested according to the method provided in the present application to prove that the solution of the present application can improve the instrument performance. The comparison results of the instrument performance are shown in Table 1.

[0115] Table 1 Instrument Performance Results

[0116] Performance Index Acquisition Card 1 Acquisition Card 2 Standard Requirements Inspection Results Quality Range 1 - 650 amu 1 - 650 amu 1 - 650 amu Qualified Method Detection Limit 0.08 ppb 0.07 ppb <0.1 ppb Qualified Mass Resolution 974 FWHM 1049 FWHM > 800 FWHM Qualified Dynamic Linear Range 0.99938 0.99176 R2>0.99 Qualified Response Time 7s 3s <10s Qualified Mass Accuracy -0.001 amu 0.009 amu ±0.05 amu Qualified Mass Stability 0.024 amu -0.004 amu ±0.05 amu Qualified Repeatability 1.11％ 2.49％ <5％ Qualified Stability 0.86％ 1.46％ <5％ Qualified

[0117] As can be seen from Table 1, under the condition that the inspection results are all qualified, the resolution, detection limit, and response time of acquisition card 2 are all higher than those of acquisition card 1, thus playing a role in improving the instrument performance.

[0118] In summary, the method provided by this application can make the acquisition card compatible with the mass spectrometer and optimize the performance of the mass spectrometer, which is beneficial to improving the resolution of the mass spectrometer, stabilizing the detection limit of the instrument, making it easier to obtain results, and expanding the dynamic range of mass spectrometer detection.

[0119] The above are only the preferred embodiments of the present invention and are not used to limit the present invention. For those skilled in the art, the present invention can have various changes and modifications. Any modification, equivalent replacement, improvement, etc. made within the spirit and principle of the present invention shall be included within the protection scope of the present invention.

Claims

1. A method for testing a mass spectrometer acquisition card and optimizing instrument parameters, characterized in that The following steps are involved: S1: Perform single module test of data acquisition card; S11: comparing the difference between the measured value of the parameter of the acquisition card and the described value of the parameter to determine whether the sampling rates are consistent; S12: Perform the following operations according to the comparison result of the sampling rates: Method 1: If the comparison results of the sampling rates are consistent, proceed to the next step; Method 2: If the comparison results of the sampling rates are inconsistent, reselect the acquisition card or optimize the instrument acquisition software parameters and proceed to the next step; S2: whole machine test; S21: Compare the mass-to-charge ratio of the characteristic peak of the spectrum acquired by the acquisition card with its flight time, and perform the following operations according to the comparison result: Method 1: If the mass-to-charge ratio is consistent with the flight time, determine whether the collected signal is complete; If the collected signal is complete, proceed to the next step; If the collected signal is incomplete, adjust the parameters of the acquisition card until the effective signal collected by the acquisition card is complete, and then proceed to the next step; Method 2: If the mass-to-charge ratio is inconsistent with the flight time, compare the difference between the mass-to-charge ratio and the flight time, adjust the settings of the data acquisition card acquisition software until the mass-to-charge ratio is consistent with the flight time and the acquired signal is complete, and then proceed to the next step; S22: Perform instrument performance test to detect the resolution of the acquired characteristic peaks; perform the following operations according to the test results: Method 1: If the performance test results meet the standards, proceed to the next step; Method 2: If the performance test results do not meet the standards, adjust the instrument's hardware parameters and / or the data acquisition card's acquisition parameters until they meet the standards and proceed to the next step; S3: curing parameters; After S3, S4 is also included: dynamically selecting the range gear of the data acquisition card according to the concentration of the introduced standard gas; S4 includes: introducing standard gas to obtain the highest peak intensity X of the effective spectrum collected by the acquisition card, and correspondingly performing the following operations: Method 1: If the highest peak intensity X satisfies both X-0.8FSR<0 and X-0.5FSR>0, it is considered that the acquisition card range gear selection is appropriate, and the acquisition card gear is fixed; Method 2: If the highest peak intensity X satisfies X-0.8FSR>0, it is considered that the current acquisition card range is too small, and the acquisition card range is increased until the highest peak intensity X satisfies both X-0.8FSR<0 and X-0.5FSR>0, and the acquisition card range is fixed; Method 3: If the highest peak intensity X satisfies X-0.8FSR<0 but does not satisfy X-0.5FSR>0, it is considered that the acquisition card range is too large, and the acquisition card range is reduced until the highest peak intensity X satisfies both X-0.8FSR<0 and X-0.5FSR>0, and the acquisition card range is fixed.

2. The method according to claim 1, wherein The parameters of the acquisition card also include at least one of a measurement range, an accumulation function, and a signal-to-noise ratio.

3. The method according to claim 1, characterized in that, In the first method of S22, if the performance test result meets the standard, it also includes continuing to adjust the hardware parameters of the instrument and / or the acquisition parameters of the data acquisition card to further optimize the parameters of the instrument.

4. The method according to claim 1, characterized in that, The standards in S22 include: mass range of 1 amu - 650 amu; resolution ≥ 800 FWHM; dynamic linear range R 2 > 0.99; detection limit ≤ 0.1 ppb; response time < 10 s; mass stability of -0.05 amu to 0.05 amu; mass accuracy of -0.05 amu to 0.05 amu; maximum mass offset < 5% / 12 h; repeatability RSD < 5%.

5. The method according to claim 1, characterized in that The ranges of the data acquisition card are divided into the following five ranges: 0.05V, 0.1V, 0.2V, 0.5V, and 1V; or divided into the following five ranges: 0.25V, 0.5V, 1V, 2.5V, and 5V.

6. A mass spectrometer acquisition card testing and instrument parameter optimization device for running the method according to any one of claims 1-5, characterized in that, The device includes: A single-module test module for performing a single-module test on the data acquisition card of S1; An overall machine test module for performing an overall machine test of S2; A parameter solidification module for solidifying parameters of S3; The device further includes a dynamic range selection gear module for dynamically selecting the range gear of the data acquisition card in S4.

7. A device for testing a mass spectrometer acquisition card and optimizing instrument parameters, characterized in that, The mass spectrometer acquisition card test and instrument parameter optimization device includes: a processor and a memory storing computer program instructions; When the processor executes the computer program instructions, the method for testing the mass spectrometer acquisition card and optimizing the instrument parameters as described in any one of claims 1-5 is implemented.

8. A computer-readable storage medium, characterized in that, Computer program instructions are stored on the computer-readable storage medium, and when the computer program instructions are executed by the processor, the method for testing the mass spectrometer acquisition card and optimizing the instrument parameters as described in any one of claims 1-5 is implemented.

9. A computer program product, characterized in that, When the instructions in the computer program product are executed by the processor of the electronic device, the electronic device is caused to execute the method for testing the mass spectrometer acquisition card and optimizing the instrument parameters as described in any one of claims 1-5.

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