wrProteo: massDeFormula – R documentation

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massDeFormula

molecular mass from chemical formula

Calculate molecular mass based on atomic composition

massDeFormula(
  comp,
  massTy = "mono",
  rmEmpty = FALSE,
  silent = FALSE,
  callFrom = NULL
)

`comp`	(character) atomic compostion
`massTy`	(character) 'mono' or 'average'
`rmEmpty`	(logical) suppress empty entries
`silent`	(logical) suppress messages
`callFrom`	(character) allow easier tracking of messages produced

numeric vector with mass

massDeFormula(c("12H12O","HO"," 2H 1 Se, 6C 2N","HSeCN"," ","e"))

Proteomics Data Analysis Functions

v1.4.1

GPL-3

Authors

Wolfgang Raffelsberger [aut, cre]

Initial release