mrbin (version 1.3.0)

mrbinrun: A function performing all data read and processing steps.

Description

This function reads parameters from the global variable mrbin.env$mrbinparam and performs the following operations: Reading NMR files, creating bins, removing solvent area, removing additional user-defined areas, summing up bins that contain unstable peaks such as citric acid, removes noise bins, crops HSQC spectra to the diagonal area, performs PQN scaling, replaces negative values, log transforms and displays a PCA plot. Parameters are then saved in a text file. These can be recreated using recreatemrbin().

Usage

mrbinrun()

Value

None

Examples

# NOT RUN {
setParam(parameters=list(dimension="2D",binwidth2D=0.05,binheight=3,PQNScaling="No",
         fixNegatives="No",logTrafo="No",
         NMRfolders=c(system.file("extdata/1/12/pdata/10",package="mrbin"),
                      system.file("extdata/2/12/pdata/10",package="mrbin"))))
mrbinrun()
# }