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doProcCmd

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=detectCores())
# 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

Rnmr1D

Perform the Complete Processing of a Set of Proton Nuclear Magnetic Resonance Spectra

v1.2.5
GPL (>= 2)
Authors
Daniel Jacob [cre, aut] (<https://orcid.org/0000-0002-6687-7169>), Catherine Deborde [ctb], Marie Lefebvre [ctb]
Initial release
2019-11-25

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