qPeaks: A Linear Regression-Based Asymmetric Peak Model for Parameter-Free Automatized Detection and Characterization of Chromatographic Peaks in Non …

M Reuschenbach, F Drees, MS Leupold… - Analytical …, 2024 - ACS Publications
We present qPeaks (quality peaks), a novel, user-parameter-free algorithm for peak
detection and peak characterization applicable to chromatographic data. The algorithm is …

Handling of problematic ion chromatograms with the Automated Target Screening (ATS) workflow for unsupervised analysis of high-resolution mass spectrometry data

G Braun, M Krauss, S Spahr, BI Escher - Analytical and Bioanalytical …, 2024 - Springer
Liquid chromatography (LC) or gas chromatography (GC) coupled to high-resolution mass
spectrometry (HRMS) is a versatile analytical method for the analysis of thousands of …

[引用][C] qAlgorithms: A parameter-free, quality-based data processing routine for non-target-screening with high-resolution mass spectrometry.

M Reuschenbach - Dissertation, Duisburg, Essen …