Centroid_algorithms

Converting a profile mode dataset to centroid mode dataset

Profile vs Centroid datasets

Originally, MS scans are classically recorded as a continuous trace where each ion is visualised as a Gaussian peak. MS peak widths are related to the mass analyser resolving power. Accurate masses are obtained via centroid algorithms that will detect in every scans all peaks and calculate for each peak, its position (centre or apex) and maximum intensity. Centroid algorithms allow transforming a profile spectrum to a centroid spectrum where only the position and intensity of each peak is recorded. This permit not only to decrease the size of the file by a factor 10 to 100 but also to obtain an accurate and precise measurement of the position of every peak. Centroid datasets are usually processed by the MS software.

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