title: Integration parameters and their effects on quantitative results with two-step peak summation quantitation in comprehensive two-dimensional gas chromatography.
abstract: Quantification of comprehensive two-dimensional gas chromatographic (GC×GC) data in a commercial software package is examined. ChromaTOF(®) (Leco Instruments) includes a smoothing step prior to data integration. Improper choice of integration parameters can introduce errors in excess of ±10% and as high as 60% in the total peak area. Herein we demonstrate the critical nature of the smoothing parameters in this software, particularly the expected peak width in the second dimension ((2)w) which should be verified as part of a QA/QC protocol.
authors.affiliation: Department of Chemistry, University of Alberta, Edmonton, AB T6G2G2, Canada.
authors.forename: A
authors.initials: A
authors.lastname: Paulina de la Mata
authors.forename: Katie D
authors.initials: KD
authors.lastname: Nizio
authors.forename: James J
authors.initials: JJ
authors.lastname: Harynuk
mesh_terms: D002849:Chromatography, Gas / Q000379:methods* / Q000592:standards; D003198:Computer Simulation; D009930:Organic Chemicals / Q000032:analysis; D015203:Reproducibility of Results; D059629:Signal-To-Noise Ratio; D012984:Software
chemical_list: D009930:Organic Chemicals