calculateAverageMass: Function computing theoretical average masses.

Description Usage Arguments Details Value Author(s) References See Also Examples

View source: R/get.coefficients.R

Description

Function computing the theoretical average masses for chemical components composed of carbon, hydrogen, oxygen, nitrogen and sulfur (e.g. peptides).

Usage

1

Arguments

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)

Author(s)

Piotr Dittwald <piotr.dittwald@mimuw.edu.pl>

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

See Also

useBRAIN

Examples

1
2
  aC <-  list(C=23832, H=37816, N=6528, O=7031, S=170)  # Human dynein heavy chain
  res <- calculateAverageMass(aC = aC)

ditti2/BRAIN documentation built on Feb. 10, 2020, 5:43 a.m.