Code supporting "A new processing scheme for ultra-high resolution direct infusion mass spectrometry data"
Not Applicable (or Unknown)
Repository URI
Repository DOI
Type
Software
Change log
Authors
Zielinski, AT
Kalberer, Markus https://orcid.org/0000-0001-8885-6556
Bortolini, C
Giorio, Chiara https://orcid.org/0000-0001-7821-7398
Fuller, SJ
Description
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.
Version
1.0
Software / Usage instructions
Keywords
UHRMS, ESI, APPI, Environmental samples, direct infusion, Orbitrap
Publisher
Sponsorship
European Commission (254319)
European Research Council (279405)
European Research Council (279405)