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Mass spectrometer resolution automatic adjustment method based on RBF network

An RBF network and automatic adjustment technology, applied in the field of mass spectrometers, can solve problems such as long time, reduced experimental efficiency, unfavorable resolution of spectral peaks, etc.

Active Publication Date: 2021-08-20
天津国科医疗科技发展有限公司
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  • Application Information

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Problems solved by technology

[0004] Usually, before using the mass spectrometer, debuggers or experimenters need to calibrate the unit mass resolution of the mass spectrometer. Only with an appropriate unit mass resolution can correct experimental results be obtained. If the unit mass resolution is too low (half If the unit mass resolution is too high (the half-peak width is small), the intensity of the target peak will be greatly reduced, which is not conducive to the detection of the target ion
Therefore, it is necessary to manually adjust the resolution of the mass spectrometer before the experiment. However, adjusting the resolution often takes a long time and requires a certain amount of labor costs.
If you want to change the unit mass resolution, you need to readjust, which will cause a lot of repetitive work and reduce the efficiency of the experiment

Method used

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  • Mass spectrometer resolution automatic adjustment method based on RBF network
  • Mass spectrometer resolution automatic adjustment method based on RBF network
  • Mass spectrometer resolution automatic adjustment method based on RBF network

Examples

Experimental program
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Embodiment 1

[0065] Here we take the HTQ-2020 triple quadrupole mass spectrometer as an example to briefly explain the automatic adjustment method of this patent. When adjusting the resolution at the mass number 906.7, the input parameter is the DAC OFFSET value, and we will input the value range -1 to 1 The average is divided into 1000 segments. Before fitting, it is necessary to perform some sampling detection of data. As a priori data set, 8 points are extracted. For example, the 8 data pairs of (OFFSET, half-peak width) are (-0.5, 1.7), (- 0.2, 1.2), (-0.1, 0.9), (0, 0.78), (0.1, 0.63), (0.2, 0.43), (0.3, 0.31), and (0.5, 0.1). By bringing the actual data of these 8 experiments into the RBF network, the optimal weight vector of the RBF network can be obtained, and the explicit expression of the fit can be obtained.

[0066] Next, all 1,000 possible inputs are brought into the RBF network for calculation. This process is executed by the computer, and the results can be obtained in a sh...

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Abstract

The invention provides a mass spectrometer resolution automatic adjustment method based on an RBF network. The method comprises the following steps: bringing actual data into the RBF network, carrying out calculation to obtain a fitted display expression, and carrying out the reverse calculation to obtain an optimal input parameter. The mass spectrometer resolution automatic adjustment method based on the RBF network is more flexible to use, and corresponding algorithm explicit forms can be customized for different mass spectrometers to obtain more reasonable results.

Description

technical field [0001] The invention belongs to the technical field of mass spectrometers, in particular to an RBF network-based automatic adjustment method for mass spectrometer resolution. Background technique [0002] Quadrupole mass spectrometer is an important instrument for qualitative and quantitative analysis of compounds. The core component consists of four metal rods arranged in parallel, and the electric field generated by DC voltage and RF voltage applied to the rods makes the ions spiral forward along the direction of the quadrupole. According to the voltage setting, ions with a specific m / z value can be made to fly through the quadrupole, and based on this feature, it is possible to analyze whether the substance contains ions with a specific m / z value. [0003] During the tuning process of the mass spectrometer, its unit mass resolution should be maintained within a certain range, so as to ensure that two adjacent spectral peaks can be distinguished. Taking t...

Claims

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Application Information

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IPC IPC(8): G01N30/72G01N30/86
CPCG01N30/72G01N30/8658G01N30/8665
Inventor 李亮王晶李振冯新用刘广才贾明正凌星程文播
Owner 天津国科医疗科技发展有限公司
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