enviGCMS: GC-MS Data Analysis for Environmental Science

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enviGCMS provides functions for GC/LC-MS data analysis for environmental sciences.


You can either use the stable version of enviGCMS from CRAN,


or the current development snapshot from this GitHub repository:



Check this vignette for Data analysis of GC-MS and LC-MS in Envrionmental Science.

Check this vignette for Pooled QC analysis in Environmental Science.

# enviGCMS use functions in xcms to import the data, just type the path to your single sample
data1 <- enviGCMS:::getmd(‘sample1-1’)
data2 <- enviGCMS:::getmd(‘sample1-2’)
data3 <- enviGCMS:::getmd(‘sample1-3’)
data4 <- enviGCMS:::getmd(‘sample1-4’)
data5 <- enviGCMS:::getmd(‘sample1-5’)
data <- (data1+data2+data3+data4+data5)/5
datasd <- sqrt(((data1-data)^2+(data2-data)^2+(data3-data)^2+(data4-data)^2+(data5-data)^2)/4)
databrsd <- datasd/data

Detailed usage of those functions in Environmental analysis could be found in this paper and the vignettes in this package.

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enviGCMS documentation built on July 8, 2020, 5:52 p.m.