Mass spectrum data spectrogram signal calibration method and device

A technology of mass spectrometry data and calibration method, applied in the field of mass spectrometry analysis, can solve the problems of inaccurate calibration and low efficiency, and achieve the effects of improving signal-to-noise ratio, accurate calibration, and simple and clear operation

CN112415078APending Publication Date: 2021-02-26SHENZHEN BREATHA BIOTECHNOLOGY CO LTD
8 Cites 4 Cited by

Patent Information

Authority / Receiving Office
CN · China
Patent Type
Applications(China)
Current Assignee / Owner
Publication Date
2021-02-26

Smart Images

  • Figure 1
    Figure 1
  • Figure 2
    Figure 2
  • Figure 3
    Figure 3
Patent Text Reader

Abstract

The invention discloses a mass spectrum data spectrogram signal calibration method. The method comprises the following steps: acquiring an original spectrogram; establishing a one-to-one mapping relationship between the standard sampling time points and the mass spectrum data; constructing a two-dimensional wavelet transformation matrix X (gamma, mu), and completing spectrum peak identification and peak position marking; establishing an overlapping peak splitting mathematical model, identifying overlapping peaks in the spectral peaks and completing splitting; optimizing the central coordinatesand the half-peak width of a spectral peak by using an NM algorithm, and performing Gaussian fitting on each signal peak after the optimization is completed; searching a mark peak, and establishing amapping relationship between the accurate mass number of the mark peak and the actual corresponding sampling time; recording the corresponding delta Pi when the delta Pi is not overlapped with the delta Pi; and correcting the mass spectrum data of the corresponding subsection Si (x) by using the displacement delta Pi of each subsection to obtain an alignment spectrum S (x) under a target scale. The method has the remarkable advantages of simplicity and clearness in operation, high analysis efficiency, accuracy in calibration and the like, and the accuracy and reliability of spectrogram data processing are effectively improved.
Need to check novelty before this filing date? Find Prior Art

Description

Technical field

[0001] The invention relates to the technical field of mass spectrometry analysis, in particular to a calibration method and device for spectrogram signals of mass spectrometry data.

Background technique

[0002] During the mass spectrometry system experiment, the spectrum collected by the system will be interfered by many factors such as ambient temperature, sampling rate, electromagnetic interference, system noise, etc. These interferences will cause distortion, drift and other distortions in the collected spectrum , even for the same sample, the spectra measured under different instruments and conditions are not the same. At the same time, many random noises will be added to the spectrogram, which can reduce the signal-to-noise ratio of the effective signal and adversely affect the identification. In the process of system application, due to different factors such as sampling time and environment, there are differences in the spectra collected in each...

Examples

Embodiment 1

[0070] Taking the oxygen mass spectrum data signal peak (m / z 32) as an example, the figure 2 It can be seen that the signal peak on the right is the oxygen mass spectrometry data that has drifted, and the detected mass number after the drift is 32.0102; image 3 The signal peak in is the mass spectrometry data of oxygen after calibration and processing, and the detected mass number after calibration is 31.98924, which is very close to the accurate mass number of 31.98984 of the oxygen signal peak. and by image 3 It can be seen that after the calibration algorithm, the noise reduction and smoothing of the spectrum are greatly improved, and finally processed into a standardized histogram. It can be seen that the mass deviation of the mass spectrometry data has been fully corrected, indicating the accuracy and effectiveness of the method.

[0071] To sum up, the mass spectrometry data spectrum signal calibration method provided by the present invention can quickly read the or...