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Data-independent mass spectrum data collection format conversion method and application

A mass spectrometry data and data format technology, applied in the field of mass spectrometry data, can solve the problems of lack of data bridging, conversion, and restrictions on the wide application of mass spectrometer tensor data formats, etc., to achieve the effect of reducing occupied space, reducing storage space, and improving access efficiency

Pending Publication Date: 2021-12-24
WESTLAKE UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

However, as a new type of data format, mass spectrometry tensor data format (DIAT) is currently unable to convert with standard formats. Due to the inability to convert with standard formats, the data stored in mass spectrometry tensor data format (DIAT) currently lacks a bridge between The traditional peptide and protein identification search process is used for traditional proteomics analysis, which limits the wide application of mass spectrometry tensor data format (DIAT). At present, it is urgent to provide mass spectrometry tensor data format (DIAT) and mass spectrometry standard format. conversion method

Method used

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  • Data-independent mass spectrum data collection format conversion method and application
  • Data-independent mass spectrum data collection format conversion method and application
  • Data-independent mass spectrum data collection format conversion method and application

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Embodiment 1

[0021] The embodiment of the present application provides a data-independent conversion method for mass spectrometry data format, which can achieve the effect of converting the mass spectrometer tensor data format (DIAT) into a standard data format, and the file size of the converted standard data format is reduced. purpose, specifically, refer to figure 1 , the method includes:

[0022] S1: Read the mass spectrum tensor data format file, wherein the mass spectrum tensor data format file is a three-dimensional tensor array composed of the three dimensions of the precursor ion index corresponding to the fragment ion, the mass-to-charge ratio of the fragment ion, and the cycle number index ;

[0023] S2: Parse the mass spectrum tensor data format file to obtain a mass-to-charge ratio array and a corresponding intensity array;

[0024] S3: restore the mass-to-charge ratio index in the mass-to-charge ratio array to obtain the mass-to-charge ratio value, and obtain the mass-to-ch...

Embodiment 2

[0051] Based on the same idea, refer to Figure 5 , the present application also proposes a data-independent acquisition mass spectrometry data format conversion device, including:

[0052] The mass spectrum tensor data reading unit is used to read the mass spectrum tensor data format file, wherein the mass spectrum tensor data format file is the precursor ion index corresponding to the fragment ion, the mass-to-charge ratio of the fragment ion and the cycle number index three A three-dimensional tensor array of dimensions;

[0053] The mass spectrum tensor data analysis unit is used to analyze the mass spectrum tensor data format file to obtain a mass-to-charge ratio array and a corresponding intensity array;

[0054] The mass-to-charge ratio array processing unit is used to restore the mass-to-charge ratio index in the mass-to-charge ratio array to obtain the mass-to-charge ratio value, and obtain the mass-to-charge ratio-intensity array;

[0055] The standard format file ...

Embodiment 3

[0058] This embodiment also provides an electronic device, refer to Figure 4 , including a memory 404 and a processor 402, the memory 404 stores a computer program, and the processor 402 is configured to run the computer program to perform the steps in any one of the above embodiments of the data-independent acquisition mass spectrum data format conversion method .

[0059] Specifically, the processor 402 may include a central processing unit (CPU), or an Application Specific Integrated Circuit (ASIC for short), or may be configured to implement one or more integrated circuits in the embodiments of the present application.

[0060]Wherein, the memory 404 may include a mass memory 404 for data or instructions. For example without limitation, the memory 404 may include a hard disk drive (HardDiskDrive, referred to as HDD), a floppy disk drive, a solid state drive (SolidStateDrive, referred to as SSD), flash memory, optical disk, magneto-optical disk, magnetic tape or Universal...

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Abstract

The invention provides a data-independent mass spectrum data format collection conversion method and application. The method comprises the following steps: reading a mass spectrum tensor data format file, wherein the mass spectrum tensor data format file is a three-dimensional tensor array formed by three dimensions of a precursor ion index corresponding to fragment ions, a fragment ion mass-to-charge ratio and a cycle index; analyzing the mass spectrum tensor data format file to obtain a mass-to-charge ratio array and a corresponding intensity array; reducing the mass-to-charge ratio index in the mass-to-charge ratio array to obtain a mass-to-charge ratio value, and obtaining a mass-to-charge ratio-intensity array; and filling missing information of a standard format file, and combining the missing information and the mass-to-charge ratio-intensity array to obtain the standard format file, so that the effect of converting a mass spectrum tensor data format (DIAT) into a standard data format can be achieved, and the purpose of reducing the size of the standard data format file obtained by conversion can be achieved.

Description

technical field [0001] The present application relates to the field of mass spectrometry data, in particular to a conversion method and application of a data-independent acquisition mass spectrometry data format. Background technique [0002] Mass spectrometry plays a very important role in the study of omics. Mass spectrometry is an image of charged atoms, molecules or molecular fragments arranged in order of mass. It is obtained by first ionizing the analyzed sample and using different ions The difference in the motion behavior of the electric field or magnetic field is obtained by separating the ions according to the mass-to-charge ratio, and the identification and quantitative analysis of complex biomolecules can be realized based on mass spectrometry. [0003] At present, there are many mainstream mass spectrometry-based omics acquisition methods: data-dependent acquisition (DDA), targeted monitoring (SRM), and data-independent acquisition (DIA). The full scan range is...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F16/11G06F16/174G16B50/00
CPCG06F16/116G16B50/00G06F16/1744
Inventor 郭天南栾钟治张芳菲王群莹
Owner WESTLAKE UNIV