calculateAverageMass


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).



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


Package for calculating aggregated isotopic distribution
and exact center-masses for chemical substances (in this
version composed of C, H, N, O and S). This is an
implementation of the BRAIN algorithm described in the paper by
J. Claesen, P. Dittwald, T. Burzykowski and D. Valkenborg.

Piotr Dittwald

BRAIN

Baffling Recursive Algorithm for Isotope distributioN
calculations

calculateAverageMass function

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).

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

calculateAverageMass: Function computing theoretical average masses.

Description

Usage

Arguments

Value

Details

References

See Also

Examples