Sustainable data analysis with Snakemake

F1000Res. 2021 Jan 18:10:33. doi: 10.12688/f1000research.29032.2. eCollection 2021.

Abstract

Data analysis often entails a multitude of heterogeneous steps, from the application of various command line tools to the usage of scripting languages like R or Python for the generation of plots and tables. It is widely recognized that data analyses should ideally be conducted in a reproducible way. Reproducibility enables technical validation and regeneration of results on the original or even new data. However, reproducibility alone is by no means sufficient to deliver an analysis that is of lasting impact (i.e., sustainable) for the field, or even just one research group. We postulate that it is equally important to ensure adaptability and transparency. The former describes the ability to modify the analysis to answer extended or slightly different research questions. The latter describes the ability to understand the analysis in order to judge whether it is not only technically, but methodologically valid. Here, we analyze the properties needed for a data analysis to become reproducible, adaptable, and transparent. We show how the popular workflow management system Snakemake can be used to guarantee this, and how it enables an ergonomic, combined, unified representation of all steps involved in data analysis, ranging from raw data processing, to quality control and fine-grained, interactive exploration and plotting of final results.

Keywords: adaptability; data analysis; reproducibility; scalability; sustainability; transparency; workflow management.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Data Analysis*
  • Reproducibility of Results
  • Software*
  • Workflow

Grants and funding

This work was supported by the Netherlands Organisation for Scientific Research (NWO) (VENI grant 016.Veni.173.076, Johannes Köster), the German Research Foundation (SFB 876, Johannes Köster and Sven Rahmann), the United States National Science Foundation Graduate Research Fellowship Program (NSF-GRFP) (Grant No. 1745303, Christopher Tomkins-Tinch), and Google LLC (Vanessa Sochat and Johannes Köster).