inst/scripts/xcms_processing_xcmsSet.R
In computational-metabolomics/structData: Metabolomics data sets to demonstrate functionality of the qcrms package
library(xcms)
library(qcrms)
## Get the full path to the mzML files
mzml_files <- dir(system.file("extdata/MTBLS404/mzML", package="structData"),
full.names=TRUE, recursive=TRUE)
xset <- xcms::xcmsSet(mzml_files, method="centWave", peakwidth=c(7, 30),
ppm=8, mzdiff=0.013, snthresh=10, noise=5000)
xset <- xcms::group(xset, method="density", bw=5, mzwid=0.01)
usethis::use_data(xset)
computational-metabolomics/structData documentation built on June 11, 2020, 12:16 a.m.
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library(xcms)
library(qcrms)
## Get the full path to the mzML files
mzml_files <- dir(system.file("extdata/MTBLS404/mzML", package="structData"),
full.names=TRUE, recursive=TRUE)
xset <- xcms::xcmsSet(mzml_files, method="centWave", peakwidth=c(7, 30),
ppm=8, mzdiff=0.013, snthresh=10, noise=5000)
xset <- xcms::group(xset, method="density", bw=5, mzwid=0.01)
usethis::use_data(xset)
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Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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