enviGCMS: GC-MS Data Analysis for Environmental Science

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Gas Chromatography-Mass Spectrometer(GC-MS) Data Analysis for Environmental Science. This package covered topics such as raw data process, molecular isotope ratio, matrix effects, etc. in environmental analysis.

Author
Miao YU [aut, cre]
Date of publication
2016-11-30 14:55:19
Maintainer
Miao YU <yufreecas@gmail.com>
License
GPL-2
Version
0.1.1
URLs

View on CRAN

Man pages

batch
Get the MIR and related information from the files
combinemd
Combine two or more matrix
comparems
substrict two GC-MS data
findline
find line of the regression model
GetIntegration
GetIntegration was mainly used for get the intergration of...
Getisotopologues
Get the selected isotopologues at certain MS data
getmd
import data and return the annotated matrix for GC-MS
getsubmd
Subset the data mass spectrum of certain retention time and...
Integration
Just intergrate data according to fixed rt and fixed noise...
ma
filter data by average moving box
plotgroup
Plot the response group of GC-MS
plothist
plot the density of the GC-MS data with EM algorithm to...
plotint
plot the information of intergretion
plotintslope
plot the information of intergretion
plotkms
plot the kendrick mass defect diagram
plotms
plot GC-MS data as a heatmap
plotmsrt
Plot EIC of certain m/z and return dataframe for intergration
plotrtms
Plot mass spectrum of certain retention time and return mass...
plotsms
Plot the intensity distribution of GC-MS
plotsub
Plot the backgrond of data
plott
plot GC-MS data as a heatmap for constant speed of...
plottic
Plot Total Ion Chromatogram (TIC)
qbatch
Get the MIR from the file
writeMSP
Write MSP files for NIST search

Files in this package

enviGCMS
enviGCMS/inst
enviGCMS/inst/CITATION
enviGCMS/inst/doc
enviGCMS/inst/doc/GCMSDA.Rmd
enviGCMS/inst/doc/GCMSDA.html
enviGCMS/NAMESPACE
enviGCMS/R
enviGCMS/R/peaks.R
enviGCMS/R/general.R
enviGCMS/R/io.R
enviGCMS/R/matrix.R
enviGCMS/vignettes
enviGCMS/vignettes/GCMSDA.Rmd
enviGCMS/README.md
enviGCMS/MD5
enviGCMS/build
enviGCMS/build/vignette.rds
enviGCMS/DESCRIPTION
enviGCMS/man
enviGCMS/man/findline.Rd
enviGCMS/man/plott.Rd
enviGCMS/man/Getisotopologues.Rd
enviGCMS/man/getsubmd.Rd
enviGCMS/man/writeMSP.Rd
enviGCMS/man/comparems.Rd
enviGCMS/man/plotrtms.Rd
enviGCMS/man/plotgroup.Rd
enviGCMS/man/combinemd.Rd
enviGCMS/man/getmd.Rd
enviGCMS/man/plotkms.Rd
enviGCMS/man/batch.Rd
enviGCMS/man/Integration.Rd
enviGCMS/man/plotintslope.Rd
enviGCMS/man/plotint.Rd
enviGCMS/man/qbatch.Rd
enviGCMS/man/plotsms.Rd
enviGCMS/man/plottic.Rd
enviGCMS/man/plothist.Rd
enviGCMS/man/GetIntegration.Rd
enviGCMS/man/plotsub.Rd
enviGCMS/man/plotmsrt.Rd
enviGCMS/man/plotms.Rd
enviGCMS/man/ma.Rd