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Peak alignment procedures for samples from LC-MS and GC-MS (also CE-MS, MS, FT-MS, UV, NMR, MALDI) measurements play an important role during biomarker detection and metabolomic studies in general. As there is always a difference in the samples due to machine drift, samples need accurate correction to point to the same metabolite or component. Several packages have emerged since several years, some of them commercial, some of them free, some of them simple, some of them complex.
(2016) Fiehn Lab.