In IsoCor: Analyze Isotope Ratios in a 'Shiny'-App

Processing parameters

Processing includes three parameters to select: Smoothing, Baseline correction and Peak picking (SNR). These parameters are used to optimize peak detection and baseline correction steps. The user can find optimal parameters by selecting different options and monitoring results in the output tables and by visual comparison on the plot.

Smoothing (the Savitzky-Golay method) parameter smooths out the small intensity fluctuations within the peak to help algorithm find peak boundaries correctly. Note! Smoothing is only used during baseline correction and peak detection steps. For isotope ratio calculation non-smoothed intensities are used.
Baseline estimation methods are implemented using MALDIquant package.
Peak picking SNR (signal-to-noise) parameter helps to ignore small peaks of no interest.

Note! All output tables and plots are automatically updated when parameters are modified.