About NMRProcFlow


© Copyright 2015-2017


Funded by:


Main contributors:

  • Daniel Jacob
  • Catherine Deborde
  • Marie Lefebvre
  • Michaël Maucourt

Special thanks to Alain Girard (INRA Bordeaux) for designing the logo.


Publication:

Jacob, D., Deborde, C., Lefebvre, M., Maucourt, M. and Moing, A. (2017) NMRProcFlow: A graphical and interactive tool dedicated to 1D spectra processing for NMR-based metabolomics, Metabolomics 13:36. doi:10.1007/s11306-017-1178-y


Call for contribution

We have been developing this software since 2015 and this requires a long and continuous effort. Firstly, our aim was to fulfill our own needs in the matter of NMR spectra processing, and we assume that it also meets your needs. Because no one can claim to have innate knowledge, we believe it is more beneficial for all to share our expertise. That's why we decided to give an open access of this software. So, this software is now a little yours too.

  • An easy way to contribute is to keep trace of problems encountered with NMRProcFlow, and send them to us by email. Thus, it is a good way to ensure the development and the continual improvement of the NMRProcFlow system.
  • Another way to contribute is to send us your suggestions about new functionalities that would be advisable to develop in priority, and those that must be improved.
  • A third way to contribute is to propose your own R scripts or packages you would like to be integrated within the software in order to enrich the functionnalities.
  • A last way to contribute is to become an NMRProcFlow developer (as soon as the code source will be opened).

Contact the maintainers: NMRProcFlow Team


Training

NMRProcFlow has been developed to meet some expert needs. Although a non-expert user can use it, basic skills in NMR spectra processing is nevertheless required to take full advantage of its possibilities. Given that NMRProcFlow will do what you ask it to do, no matter if this is coherent or absurd, we think it is unfortunately not a software that can fill such a lack, but indeed an appropriate training (Weber et al 2015). This is why we are thinking about training courses for the year 2017 on the theme "Using NMRProcFlow to analyze 1H-NMR metabolomic data", covering data handling/processing applied to both targeted and untargeted approaches.

It should be noted that the online version of NMRProcFlow is not dedicated to intensive use and therefore is not suitable for a workshop with more than 10 simultaneous sessions. Also, we highly recommend the local installation of the application. For those who would like to organize training sessions or workshops where NMRProcFlow would be used as a support tool, please, contact the NMRProcFlow Team to see which strategy would be best suited.

Weber, Ralf J. M., Winder, Catherine L., Larcombe, Lee D., Dunn, Warwick B., Viant, Mark R. (2015) Training needs in metabolomics, Metabolomics 11:784-786. doi:10.1007/s11306-015-0815-6


Futur work

We have planned to develop some functionalities in order to meet particular needs

  • We already support the nmrML format nmrML for NMR spectra (FID). In a next version the final goal will to achieve a complete export in this new standard format, thus allowing to describe based on an ontology (nmrCV) the whole processing steps (ongoing work)
  • Carry on the quantification (targeted metabolomics - qHNMR) based on signal deconvolution i.e. on line shape analysis of the signal (under study)


License: