\name{calculateAverageMass} \alias{calculateAverageMass} %- Also NEED an '\alias' for EACH other topic documented here. \title{ Function computing theoretical average masses. } \description{ Function computing the theoretical average masses for chemical components composed of carbon, hydrogen, oxygen, nitrogen and sulfur (e.g. peptides). } \usage{ calculateAverageMass(aC) } %- maybe also 'usage' for other objects documented here. \arguments{ \item{aC}{ List with fields C, H, N, O, S of integer non-negative values (if any field is ommited, then its value is set to 0). } } \details{ Mass is calculated in Daltons. } \value{ Average mass (numeric) } \references{ [Clae] Claesen J., Dittwald P., Burzykowski T. and Valkenborg D. An efficient method to calculate the aggregated isotopic distribution and exact center-masses. JASMS, 2012, doi:10.1007/s13361-011-0326-2 } \author{ Piotr Dittwald } \seealso{ \code{\link{useBRAIN}} } \examples{ aC <- list(C=23832, H=37816, N=6528, O=7031, S=170) # Human dynein heavy chain res <- calculateAverageMass(aC = aC) }