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SmartPeak Automates Targeted and Quantitative Metabolomics Data Processing

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NIAID Data Ecosystem2026-03-12 收录
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https://figshare.com/articles/dataset/SmartPeak_Automates_Targeted_and_Quantitative_Metabolomics_Data_Processing/13325989
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Technological advances in high-resolution mass spectrometry (MS) vastly increased the number of samples that can be processed in a life science experiment, as well as volume and complexity of the generated data. To address the bottleneck of high-throughput data processing, we present SmartPeak (https://github.com/AutoFlowResearch/SmartPeak), an application that encapsulates advanced algorithms to enable fast, accurate, and automated processing of capillary electrophoresis–, gas chromatography–, and liquid chromatography (LC)–MS­(/MS) data and high-pressure LC data for targeted and semitargeted metabolomics, lipidomics, and fluxomics experiments. The application allows for an approximate 100-fold reduction in the data processing time compared to manual processing while enhancing quality and reproducibility of the results.
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2020-12-03
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