Soo Eun Chae, Patricia A Alexander
The Development of Relational Reasoning in South Korean Elementary and Middle-School Students: A Cross-Sectional Investigation
Frontiers in psychology
wide applications liquid chromatography mass spectrometry lcms untargeted metabolomics demand easytouse comprehensive computational workflow support efficient reproducible data analysis however current tools primarily developed perform specific tasks lcms based metabolomics data analysis introduce metaboanalystr 40 streamlined pipeline covering raw spectra processing compound identification statistical analysis functional interpretation key features metaboanalystr 40 includes autooptimized feature detection quantification algorithm lcms1 spectra processing efficient ms2 spectra deconvolution compound identification datadependent dataindependent acquisition accurate functional interpretation integrated spectral annotation comprehensive validation studies using lcms1 ms2 spectra obtained standards mixtures dilution series clinical metabolomics samples shown excellent performance across wide range common tasks peak picking spectral deconvolution compound identification good computing efficiency together existing statistical analysis utilities metaboanalystr 40 represents significant step toward unified endtoend workflow lcms based global metabolomics opensource r environment