Abstract:Automated data pre-processing (DPP) forms the basis of any liquid chromatography-high resolution mass spec-trometry-driven non-targeted metabolomics experiment. However, current strategies for quality control of this im-portant step have rarely been investigated or even discussed. We exemplified how reliable benchmark peak lists could be generated for eleven publicly available datasets acquired across different instrumental platforms. Moreover, we demonstrated how these benchmarks can be utilized to derive per… Show more
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