matchms - processing and similarity evaluation of mass spectrometry data [article]

Florian Huber, Stefan Verhoeven, Christiaan Meijer, Hanno Spreeuw, Efrain Manuel Villanueva Castilla, Cunliang Geng, Justin JJ van der Hooft, Simon Rogers, Adam Belloum, Faruk Diblen, Jurriaan H Spaaks
2020 biorxiv/medrxiv   pre-print
Mass spectrometry data is at the heart of numerable applications in the biomedical and life sciences. With growing use of high throughput techniques researchers need to analyse larger and more complex datasets. In particular through joint effort in the research community, fragmentation mass spectrometry datasets are growing in size and number. Matchms is an open-access Python package to import, process, clean, and compare mass spectrometry data (MS/MS). It allows to implement and run an
more » ... follow, easy-to-reproduce workflow from raw mass spectra to pre- and post-processed spectral data.
doi:10.1101/2020.08.06.239244 fatcat:folnxbg2t5aqhf32pcf3mln5b4