3 years ago

rDolphin: a GUI R package for proficient automatic profiling of 1D 1 H-NMR spectra of study datasets

Nicolau Cañellas, Reza M. Salek, Daniel Cañueto, Josep Gómez, Xavier Correig



Adoption of automatic profiling tools for 1H-NMR-based metabolomic studies still lags behind other approaches in the absence of the flexibility and interactivity necessary to adapt to the properties of study data sets of complex matrices.


To provide an open source tool that fully integrates these needs and enables the reproducibility of the profiling process.


rDolphin incorporates novel techniques to optimize exploratory analysis, metabolite identification, and validation of profiling output quality.


The information and quality achieved in two public datasets of complex matrices are maximized.


rDolphin is an open-source R package (http://github.com/danielcanueto/rDolphin) able to provide the best balance between accuracy, reproducibility and ease of use.

Publisher URL: https://link.springer.com/article/10.1007/s11306-018-1319-y

DOI: 10.1007/s11306-018-1319-y

You might also like
Discover & Discuss Important Research

Keeping up-to-date with research can feel impossible, with papers being published faster than you'll ever be able to read them. That's where Researcher comes in: we're simplifying discovery and making important discussions happen. With over 19,000 sources, including peer-reviewed journals, preprints, blogs, universities, podcasts and Live events across 10 research areas, you'll never miss what's important to you. It's like social media, but better. Oh, and we should mention - it's free.

  • Download from Google Play
  • Download from App Store
  • Download from AppInChina

Researcher displays publicly available abstracts and doesn’t host any full article content. If the content is open access, we will direct clicks from the abstracts to the publisher website and display the PDF copy on our platform. Clicks to view the full text will be directed to the publisher website, where only users with subscriptions or access through their institution are able to view the full article.