PatRoon: open source software platform for environmental mass spectrometry based non-target screening.

ABSTRACT: Mass spectrometry based non-target analysis is increasingly adopted in environmental sciences to screen and identify numerous chemicals simultaneously in highly complex samples. However, current data processing software either lack functionality for environmental sciences, solve only part of the workflow, are not openly available and/or are restricted in input data formats. In this paper we present patRoon, a new R based open-source software platform, which provides comprehensive, fully tailored and straightforward non-target analysis workflows. This platform makes the use, evaluation and mixing of well-tested algorithms seamless by harmonizing various common (primarily open) software tools under a consistent interface. In addition, patRoon offers various functionality and strategies to si

SUBMITTER: Helmus R 

PROVIDER: S-EPMC7789171 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature