dbe: Calculate Double Bond Equivalents
In sneumann/RMassBank: Workflow to process tandem MS files and build MassBank records
Description
Usage
Arguments
Value
Author(s)
Examples
View source: R/formulaCalculator.R
Description
Calculates the Ring and Double Bond Equivalents for a chemical formula. The
highest valence state of each atom is used, such that the returned DBE
should never be below 0.
Usage
1
Arguments
formula
A molecular formula in text or list representation (e.g.
"C6H12O6" or list(C=6, H=12, O=6) ).
Value
Returns the DBE for the given formula.
Author(s)
Michael Stravs
Examples
1
2
#
dbe("C6H12O6")
sneumann/RMassBank documentation built on Oct. 20, 2020, 3:19 p.m.
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Description Usage Arguments Value Author(s) Examples
View source: R/formulaCalculator.R
Description
Calculates the Ring and Double Bond Equivalents for a chemical formula. The highest valence state of each atom is used, such that the returned DBE should never be below 0.
Usage
1 |
Arguments
formula |
A molecular formula in text or list representation (e.g.
|
Value
Returns the DBE for the given formula.
Author(s)
Michael Stravs
Examples
1 2 | #
dbe("C6H12O6")
|
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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