Output details

Aligning extracted LC-MS peak lists via density maximization

<28> The journal is an important one in the area of metabolomics. Aligning many metabolite profiles for compound identification has been a difficult problem. Most commercial packages and published tools fail to provide proper alignment. This algorithm established a new methodology for metabolite alignment based on modern metabolite technology. To avoid heuristic alignment, we instead introduced a density-based optimisation procedure, which solves the problem of alignment bias. Since publication, the method has been used by local researchers as well Marine Chemistry and Geochemistry, USA and University of Glasgow.