Function computing the theoretical average masses for chemical components composed of carbon, hydrogen, oxygen, nitrogen and sulfur (e.g. peptides).
Usage
calculateAverageMass(aC)
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
aC <- list(C=23832, H=37816, N=6528, O=7031, S=170) # Human dynein heavy chain
res <- calculateAverageMass(aC = aC)
Results
R version 3.3.1 (2016-06-21) -- "Bug in Your Hair"
Copyright (C) 2016 The R Foundation for Statistical Computing
Platform: x86_64-pc-linux-gnu (64-bit)
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Type 'demo()' for some demos, 'help()' for on-line help, or
'help.start()' for an HTML browser interface to help.
Type 'q()' to quit R.
> library(BRAIN)
Loading required package: PolynomF
Loading required package: Biostrings
Loading required package: BiocGenerics
Loading required package: parallel
Attaching package: 'BiocGenerics'
The following objects are masked from 'package:parallel':
clusterApply, clusterApplyLB, clusterCall, clusterEvalQ,
clusterExport, clusterMap, parApply, parCapply, parLapply,
parLapplyLB, parRapply, parSapply, parSapplyLB
The following objects are masked from 'package:stats':
IQR, mad, xtabs
The following objects are masked from 'package:base':
Filter, Find, Map, Position, Reduce, anyDuplicated, append,
as.data.frame, cbind, colnames, do.call, duplicated, eval, evalq,
get, grep, grepl, intersect, is.unsorted, lapply, lengths, mapply,
match, mget, order, paste, pmax, pmax.int, pmin, pmin.int, rank,
rbind, rownames, sapply, setdiff, sort, table, tapply, union,
unique, unsplit
Loading required package: S4Vectors
Loading required package: stats4
Attaching package: 'S4Vectors'
The following objects are masked from 'package:base':
colMeans, colSums, expand.grid, rowMeans, rowSums
Loading required package: IRanges
Loading required package: XVector
Loading required package: lattice
> png(filename="/home/ddbj/snapshot/RGM3/R_BC/result/BRAIN/calculateAverageMass.Rd_%03d_medium.png", width=480, height=480)
> ### Name: calculateAverageMass
> ### Title: Function computing theoretical average masses.
> ### Aliases: calculateAverageMass
>
> ### ** Examples
>
> aC <- list(C=23832, H=37816, N=6528, O=7031, S=170) # Human dynein heavy chain
> res <- calculateAverageMass(aC = aC)
>
>
>
>
>
> dev.off()
null device
1
>