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Data set belonging to the chapter "LC-MS data processing using xcms", in Computational Methods and Data Analysis for Metabolomics.

ABSTRACT: The data set provided is used to demonstrate a complete, reproducible LC-MS data preprocessing workflow using *xcms*, illustrated with a small untargeted LC-MS metabolomics data set. Special emphasis is placed on the best practices for data handling, parameter optimization, and quality control.

INSTRUMENT(S): QTRAP 6500

ORGANISM(S): Homo Sapiens (ncbitaxon:9606)

SUBMITTER: Johannes Rainer

PROVIDER: MSV000099121 | MassIVE |

REPOSITORIES: MassIVE

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