Parallel computing based metabonomics data processing method

A metabonomics data and parallel computing technology, applied in concurrent instruction execution, machine execution devices, program control devices, etc., can solve problems such as time-consuming, high cost of parallel software, and difficult deployment, achieving green computing, Effects of saving energy and improving processing efficiency

Inactive Publication Date: 2014-10-22
SHANDONG NORMAL UNIV
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Problems solved by technology

[0004] During the experimental data processing, it was found that the high-throughput calculation of the stand-alone version of the metabolomics data proce

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  • Parallel computing based metabonomics data processing method
  • Parallel computing based metabonomics data processing method
  • Parallel computing based metabonomics data processing method

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Embodiment Construction

[0020] The present invention will be further described below in conjunction with the accompanying drawings and embodiments.

[0021] 1 Theoretical basis

[0022] 1.1 Metabolomics data processing flow

[0023] Metabolomics data processing is divided into two steps: raw data preprocessing and data analysis. In the data preprocessing stage, after the sample is detected by chromatography-mass spectrometry, the original data displayed in the form of a spectrum is obtained, and then the original spectrum is processed by the data processing software to obtain a data table of the sample components. After the metabolomics data is preprocessed, the obtained data needs to be analyzed and mined to discover valuable information. Data preprocessing is the first and most critical step in metabolomics research. In the mass spectrometry detection experiment, the high sensitivity of the mass spectrometer produces a large amount of raw data. A single sample invention has hundreds of megabytes...

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Abstract

The invention discloses a parallel computing based metabonomics data processing method. The parallel computing based metabonomics data processing method includes the steps: (1) feeding a sample into a chromatography-mass spectrometry detector, so that original data displayed in a spectrogram form and sample component retention time are obtained; (2) achieving data processing parallelization by means of combining parallel computing with MZmine software: performing task decomposition of the original data obtained from the step (1) according to spectral peaks and the sample component retention time, and enabling a plurality of servers configured with the MZmine software to perform parallel computing for sub-tasks obtained from task decomposition, so that a sample component data table is obtained; (3) merging and summarizing computing results. By the parallel computing based metabonomics data processing method, data processing can be accelerated and computing cost can be saved.

Description

technical field [0001] The invention relates to a metabolomics data processing method based on parallel computing. Background technique [0002] Metabolomics is a branch of the newly developed life science field after genomics and proteomics, through quantitative or qualitative analysis of all metabolites in organisms to find their relative relationship with pathological changes. Nature has published many papers on the study of human diseases using metabolomics. Research management departments at home and abroad have also released research topics on metabolomics. Nuclear Magnetic Resonance Spectroscopy (NMR) and Chromatography-Mass Spectrometry (HPLC-GS or GC-MS) are two commonly used measurement methods in metabolomics research. Each measurement method will generate a large amount of data, and it takes a lot of time to process and analyze these data. are sometimes challenging and require specialized mathematical, statistical and informatics tools. [0003] In order to de...

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Application Information

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IPC IPC(8): G06F9/38G06F9/44
Inventor 孙海涛杨志强
Owner SHANDONG NORMAL UNIV
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