ListFormula: Convert an Elemental Formula to a List
In OrgMassSpecR: Organic Mass Spectrometry
Description
Usage
Arguments
Details
Author(s)
See Also
Examples
Description
Convert a character string representing an elemental
formula to a list representing the elemental formula. The list can be
used as input to other functions.
Usage
1
ListFormula(elemental.formula)
Arguments
elemental.formula
character string representing the elemental formula.
Details
To maintain compatibility with MolecularWeight,
MonoisotopicMass, and IsotopicDistribution
the elemental formula can contain only C,H,N,O,S,P,Br,Cl,F,I,Si, and
Sn (I and Sn are default elements in MolecularWeight only). Elements not in this set will be ignored and a warning will be
generated. The function can handle repeated elements, but not element
multiplication indicated by parenthesis.
Known issue: Lower case letters after numbers, such as the “o” in
“C12oBr5H5” will not be caught with a warning and the resulting
list will contain the incorrect number of elements.
Author(s)
Nathan G. Dodder
See Also
Examples
1
2
3
ListFormula("C14H8Cl4")
ListFormula("C6H5OH")
ListFormula("C15H12I3NO4")
OrgMassSpecR documentation built on May 2, 2019, 11:04 a.m.
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Description Usage Arguments Details Author(s) See Also Examples
Description
Convert a character string representing an elemental formula to a list representing the elemental formula. The list can be used as input to other functions.
Usage
1 | ListFormula(elemental.formula)
|
Arguments
elemental.formula |
character string representing the elemental formula. |
Details
To maintain compatibility with MolecularWeight,
MonoisotopicMass, and IsotopicDistribution
the elemental formula can contain only C,H,N,O,S,P,Br,Cl,F,I,Si, and
Sn (I and Sn are default elements in MolecularWeight only). Elements not in this set will be ignored and a warning will be
generated. The function can handle repeated elements, but not element
multiplication indicated by parenthesis.
Known issue: Lower case letters after numbers, such as the “o” in “C12oBr5H5” will not be caught with a warning and the resulting list will contain the incorrect number of elements.
Author(s)
Nathan G. Dodder
See Also
Examples
1 2 3 | ListFormula("C14H8Cl4")
ListFormula("C6H5OH")
ListFormula("C15H12I3NO4")
|
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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