![]() ![]() ![]() The package and the example reports are available at. The software is available for operation as either a web-based graphical user interface (GUI) or in the form of command line functions. The metaX utilities were demonstrated with a published metabolomics dataset on a large scale. In addition, metaX offers a web-based interface ( ) for data quality assessment and normalization method evaluation, and it generates an HTML-based report with a visualized interface. Specifically, metaX provides several functions, such as peak picking and annotation, data quality assessment, missing value imputation, data normalization, univariate and multivariate statistics, power analysis and sample size estimation, receiver operating characteristic analysis, biomarker selection, pathway annotation, correlation network analysis, and metabolite identification. We herein developed an R package, metaX, that is capable of end-to-end metabolomics data analysis through a set of interchangeable modules. Computational analysis tools that are fully integrated with multiple functions and are easily operated by users who lack extensive knowledge in programing are needed in this research field. The large amount of data generated from mass spectrometry requires intensive computational processing for annotation of mass spectra and identification of metabolites. ![]() Non-targeted metabolomics based on mass spectrometry enables high-throughput profiling of the metabolites in a biological sample. ![]()
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