title: Automated peak detection and matching algorithm for gas chromatography-differential mobility spectrometry.
abstract: A gas chromatography-differential mobility spectrometer (GC-DMS) involves a portable and selective mass analyzer that may be applied to chemical detection in the field. Existing approaches examine whole profiles and do not attempt to resolve peaks. A new approach for peak detection in the 2D GC-DMS chromatograms is reported. This method is demonstrated on three case studies: a simulated case study; a case study of headspace gas analysis of Mycobacterium tuberculosis (MTb) cultures consisting of three matching GC-DMS and GC-MS chromatograms; a case study consisting of 41 GC-DMS chromatograms of headspace gas analysis of MTb culture and media.
authors.affiliation: Centre for Chemometrics, School of Chemistry, University of Bristol, Cantocks Close, Bristol, UK.
authors.forename: Sim S
authors.initials: SS
authors.lastname: Fong
authors.forename: Preshious
authors.initials: P
authors.lastname: Rearden
authors.forename: Chitra
authors.initials: C
authors.lastname: Kanchagar
authors.forename: Christopher
authors.initials: C
authors.lastname: Sassetti
authors.forename: Jose
authors.initials: J
authors.lastname: Trevejo
authors.forename: Richard G
authors.initials: RG
authors.lastname: Brereton
mesh_terms: D000465:Algorithms; D001331:Automation; D002849:Chromatography, Gas / Q000379:methods*; D009169:Mycobacterium tuberculosis / Q000737:chemistry