Two-Dimensional Péclet Numbers for Peak Quality Scoring

We have developed a tool we call Two-Dimensional Péclet analysis to help in determining optimum operational parameters for analytical systems that require automated analysis of large numbers of analyte data peaks. In this paper, we derive the technique from moment analysis of the peaks and single-dimensional Péclet theory. Two-Dimensional Péclet analysis allows automated comparison of response peaks with differing shapes and amplitudes to be compared simultaneously in multicomponent mixtures. In addition to peak resolution and fidelity, individual two-dimensional moment components can provide feedback to total mass (zero moment), centroid location in time space (first moment), and two-dimensional spread of data (second moment).