1. Pairwise alignment of chromatograms using an extended Fisher-Rao metric.
- Author
-
Wallace WE, Srivastava A, Telu KH, and Simón-Manso Y
- Subjects
- Humans, Statistics as Topic, Algorithms, Blood Chemical Analysis methods, Chromatography, High Pressure Liquid standards
- Abstract
A conceptually new approach for aligning chromatograms is introduced and applied to examples of metabolite identification in human blood plasma by liquid chromatography-mass spectrometry (LC-MS). A square-root representation of the chromatogram's derivative coupled with an extended Fisher-Rao metric enables the computation of relative differences between chromatograms. Minimization of these differences using a common dynamic programming algorithm brings the chromatograms into alignment. Application to a complex sample, National Institute of Standards and Technology (NIST) Standard Reference Material 1950, Metabolites in Human Plasma, analyzed by two different LC-MS methods having significantly different ranges of elution time is described., (Published by Elsevier B.V.)
- Published
- 2014
- Full Text
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