MzRAPP: a tool for reliability assessment of data pre-processing in non-targeted metabolomics.

ABSTRACT:

Summary

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.

Availability and implementation

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 information

Supplementary

SUBMITTER: El Abiead Y 

PROVIDER: S-EPMC8545297 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature