mzRAPP: a tool for reliability assessment of data pre-processing in non-targeted metabolomics.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 33826687.
- Also identified by DOI 10.1093/bioinformatics/btab231 and PMC identifier 8545297.
- No licence information is recorded for this record.
- Because redistribution is not established, this page shows the abstract only. Follow the links below for the full text.
Abstract
Reliability assessment of automated pre-processing of liquid chromatography-high resolution mass spectrometry data presents a significant challenge. Here, we present a tool named mzRAPP, which generates and validates a benchmark from user-supplied information and later utilizes it for reliability assessment of data pre-processing. As a result, mzRAPP produces several performance metrics for different steps of the pre-processing workflow, supporting five of the most commonly used pre-processing tools. mzRAPP is implemented in R and can be downloaded from GitHub under GNU GPL v.3.0 licence. Extensive documentation, background and examples are available at (https://github.com/YasinEl/mzRAPP). Supplementary data are available at Bioinformatics online.