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This function recovers fractional deuterium uptake from high-resolution level back to the peptide level. First, the values are aggregated into high-resolution level using selected aggregation method.

Usage

calculate_uc_from_hires_peptide(
  fit_dat,
  fit_values_all,
  fractional = T,
  hires_method = c("shortest", "weighted")
)

Arguments

fit_dat

uptake data filtered for given peptide

fit_values_all

fit parameters for whole peptide pool, unaggregated

fractional

indicator if fractional values are used

hires_method

method of aggregation