simplifybyPpm: Simplify data.frame of quantified isotopologues
In jcapelladesto/isoSCAN: Automatic Integration for GC-CI-MS Isotope Labeling Data
simplifybyPpm R Documentation
Simplify data.frame of quantified isotopologues
Description
Simplify data.frame of quantified isotopologues by clustering isotopologue ions within a certain ppm mass difference.
These differences are caused by variation in recorded ion m/z through that may not match from sample to sample.
Usage
simplifybyPpm(finalres, ppm = NULL)
Arguments
finalres
Dataframe resulting from autoQ function from high-resolution data.
ppm
Relative mass tolerance to cluster isotopologue masses
Value
A data.frame with a reduced number of rows in which similar mass isotopologues have been collapsed into a single row.
jcapelladesto/isoSCAN documentation built on Feb. 5, 2025, 1:48 a.m.
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| simplifybyPpm | R Documentation |
Simplify data.frame of quantified isotopologues
Description
Simplify data.frame of quantified isotopologues by clustering isotopologue ions within a certain ppm mass difference. These differences are caused by variation in recorded ion m/z through that may not match from sample to sample.
Usage
simplifybyPpm(finalres, ppm = NULL)
Arguments
finalres |
Dataframe resulting from autoQ function from high-resolution data. |
ppm |
Relative mass tolerance to cluster isotopologue masses |
Value
A data.frame with a reduced number of rows in which similar mass isotopologues have been collapsed into a single row.
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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