10.5072/example-software-2.0 Zielinski, AT 0000-0002-2997-2175 Kalberer, M Bortolini, C Giorio, C Fuller, SJ Kourtchev, I Popoola, O Apollo - University of Cambridge Repository 2017 UHRMS ESI APPI Environmental samples direct infusion Orbitrap Apollo - University of Cambridge Repository 2017-05-08 2017-05-08 en Software doi:10.5072/example-software-1.0 doi:10.5072/example-software-repository application/ld+json 2.0 GNU General Public License version 3 Set of scripts used to process direct infusion mass spectrometry data as described in the associated paper Scripts written and run using Wolfram Mathematica (confirmed with versions 10.2 to 11.1). Assumes raw data matches format produced by a LTQ Orbitrap Velos mass spectrometer and exported by the proprietary software (Xcalibur) to a comma-separated values (.csv) file. The .csv files are the expected input into the Mathematica scripts.