doProcCmd: doProcCmd

In INRA/Rnmr1D: Perform the Complete Processing of a Set of Proton Nuclear Magnetic Resonance Spectra

doProcCmd

Description

doProcCmd it process the Macro-commands string array specified at input.

Usage

doProcCmd(specObj, cmdstr, ncpu = 1, debug = FALSE)

Arguments

specObj	a complex list return by doProcessing function. See the manual page of the doProcessing function for more details on its structure.
cmdstr	the Macro-commands string array; See the Macro-command Reference Guide (https://nmrprocflow.org/themes/pdf/Macrocommand.pdf) to have more details about macro-commands.
ncpu	The number of cores [default: 1]
debug	a boolean to specify if we want the function to be more verbose.

Value

specMat : a 'specMat' object - See the manual page of the doProcessing function for more details on its structure

Examples

 
    data_dir <- system.file("extra", package = "Rnmr1D")
    CMDFILE <- file.path(data_dir, "NP_macro_cmd.txt")
    SAMPLEFILE <- file.path(data_dir, "Samples.txt")
    out <- Rnmr1D::doProcessing(data_dir, cmdfile=CMDFILE, 
                                samplefile=SAMPLEFILE, ncpu=2)
# Apply an intelligent bucketing (AIBIN)
    specMat.new <- Rnmr1D::doProcCmd(out, 
             c("bucket aibin 10.2 10.5 0.3 3 0", 
                 "9.5 4.9", 
                 "4.8 0.5", 
                 "EOL"
              ),ncpu=2, debug=TRUE)
    out$specMat <- specMat.new

INRA/Rnmr1D documentation built on April 11, 2024, 1:29 a.m.