create_nmrdata: create nmrdata.

In brgordon17/coralclass: Metabolomics Classification of Stressed Coral From Heron Island 2011

Description

create_nmrdata() preprocesses the 1H-NMR data used for modelling in this PhD chapter.

Usage

create_nmrdata(savecsv = FALSE, saverda = TRUE, csvname = "nmrdata",
  remove.vars = TRUE, vars = c("3.31"), ...)

Arguments

savecsv	Logical indicating if output should be saved as a .csv file to the current working directory
saverda	Logical indicating if a .rda file should be saved to /data
csvname	The name of the output .csv file to be saved if TRUE
remove.vars	Logical indicating if user-defined variables should be removed
vars	A character vector of variables to be removed
...	Other arguments passed on to individual methods

Details

create_nmrdata() takes the binned data from Bruker's Amix and creates new categorical variables based on the sample ID's. It then removes any unwanted variables as defined by the user (e.g. residual methanol or water peaks) before saving the results to ./data

Value

Returns a dataframe of class tbl_df

Note

create_nmrdata() was not intended to be used outside of this package.

Author(s)

Benjamin R. Gordon

See Also

Bruker AMIX

brgordon17/coralclass documentation built on June 15, 2020, 9:21 p.m.