Getisotopologues: Get the selected isotopologues at certain MS data
In enviGCMS: GC/LC-MS Data Analysis for Environmental Science
Getisotopologues R Documentation
Get the selected isotopologues at certain MS data
Description
Get the selected isotopologues at certain MS data
Usage
Getisotopologues(formula = "C12OH6Br4", charge = 1, width = 0.3)
Arguments
formula
the molecular formula. C12OH6Br4 means BDE-47 as default
charge
the charge of that molecular. 1 in EI mode as default
width
the width of the peak width on mass spectrum. 0.3 as default for low resolution mass spectrum.
Examples
# show isotopologues for BDE-47
Getisotopologues(formula = 'C12OH6Br4')
enviGCMS documentation built on Feb. 16, 2023, 8:08 p.m.
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| Getisotopologues | R Documentation |
Get the selected isotopologues at certain MS data
Description
Get the selected isotopologues at certain MS data
Usage
Getisotopologues(formula = "C12OH6Br4", charge = 1, width = 0.3)
Arguments
formula |
the molecular formula. C12OH6Br4 means BDE-47 as default |
charge |
the charge of that molecular. 1 in EI mode as default |
width |
the width of the peak width on mass spectrum. 0.3 as default for low resolution mass spectrum. |
Examples
# show isotopologues for BDE-47 Getisotopologues(formula = 'C12OH6Br4')
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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