calc_gibbs: Calculate Cox Gibbs Free Energy
In EMSL-Computing/fticRanalysis: Analysis and visualization tools for FT-MS data
calc_gibbs R Documentation
Calculate Cox Gibbs Free Energy
Description
Calculate Cox Gibbs Free Energy for peaks where empirical formula is available
Usage
calc_gibbs(ftmsObj)
Arguments
ftmsObj
an object of class 'peakData' or 'compoundData', typically a result of as.peakData or mapPeaksToCompounds
Details
Cox Gibbs Free Energy = 60.3 - 28.5NOSC, where NOSC = -(\frac{4C + H - 3N - 2O + 5P - 2S}{C}) + 4
Value
an object of the same class as ftmsObj with a column in e_meta giving Cox Gibbs Free Energy values
Author(s)
Lisa Bramer
References
LaRowe and Van Cappellen, 2011, "Degradation of natural organic matter: A thermodynamic analysis". Geochimica et Cosmochimica Acta. 75.
EMSL-Computing/fticRanalysis documentation built on Dec. 18, 2024, 9:51 p.m.
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| calc_gibbs | R Documentation |
Calculate Cox Gibbs Free Energy
Description
Calculate Cox Gibbs Free Energy for peaks where empirical formula is available
Usage
calc_gibbs(ftmsObj)
Arguments
ftmsObj |
an object of class 'peakData' or 'compoundData', typically a result of |
Details
Cox Gibbs Free Energy = 60.3 - 28.5NOSC, where NOSC = -(\frac{4C + H - 3N - 2O + 5P - 2S}{C}) + 4
Value
an object of the same class as ftmsObj with a column in e_meta giving Cox Gibbs Free Energy values
Author(s)
Lisa Bramer
References
LaRowe and Van Cappellen, 2011, "Degradation of natural organic matter: A thermodynamic analysis". Geochimica et Cosmochimica Acta. 75.
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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