128 citations · 218 across the 8 of their papers we have counts for
9 papers
Absorption mode broadband 2D MS for proteomics and metabolomics
Maria A van Agthoven, Marek Polák, Jan Fiala +9
Two-dimensional mass spectrometry (2D MS) is a method for tandem mass spectrometry that enables the correlation between precursor and fragment ions without the need for ion isolati…
Deconvolution of isotopic pattern in 2D-FTICR Mass Spectrometry of peptides and proteins
Laura Duciel, Afef Cherni, Marc-André Delsuc
Mass Spectrometry (MS) is a largely used analytical technique in biology with applications such as the determination of molecule masses or the elucidation of structural data. Fouri…
Automatic differential analysis of NMR experiments in complex samples
Laure Margueritte, Petar Markov, Lionel Chiron +4
Liquid state NMR is a powerful tool for the analysis of complex mixtures of unknown molecules. This capacity has been used in many analytical approaches: metabolomics, identificati…
Sustainable computational science: the ReScience initiative
Nicolas P. Rougier, Konrad Hinsen, Frédéric Alexandre +42
Computer science offers a large set of tools for prototyping, writing, running, testing, validating, sharing and reproducing results, however computational science lags behind. In…
SPIKE a Processing Software dedicated to Fourier Spectroscopies
Lionel Chiron, Marie-Aude Coutouly, Jean-Philippe Starck +2
We present SPIKE (Spectrometry Processing Innovative KErnel), an open-source Python package dedicated to Fourier spectroscopies. It provides basic functionalities such as apodisati…
PALMA, an improved algorithm for DOSY signal processing
Afef Cherni, Emilie Chouzenoux, Marc-André Delsuc
NMR is a tool of choice for the measure of diffusion coefficients of species in solution. The DOSY experiment, a 2D implementation of this measure, has proven to be particularly us…