read.NMR: Read NMR Data

In jmstrat/NMR.Utils: Importing and processing Bruker NMR data

Description

This function is used to import 1D or 2D NMR data. Data may be imported either by passing the experiment directory, or a file exported from topspin.

Usage

read.nmr(nmrfile, mass = 1, nucleus = "Unknown Nucleus", acqus = NA,
  ...)

read.NMR(nmrfile, mass = 1, nucleus = "Unknown Nucleus", acqus = NA,
  ...)

Arguments

nmrfile	Path to txt file saved using topspin's File->Save as->Save data of currently displayed region in a text file. Or a directory of files (see above)
nucleus	The nucleus to which the data corresponds (automatically determined if an acqus file is available)
acqus	The path to the directory containing the acqus file for the data (automatically found if a bruker directory is provided)
...	Further parameters passed to the underlying funcition calls (controlling whether immaginary data is imported, ...)

Details

If a folder is passed as the parameter to nmrfile, read.NMR will attempt to guess whether it is a folder containing individual scans from an in-situ experiement, a folder containing raw data or a folder containing 1D spectra to be summed. It will then process accordingly.

Value

A data frame containing the NMR data (ppm,intensity1, ...)

Examples

read.nmr("/path/to/file.txt")
read.nmr("/path/to/nmr/expName/expNo")
read.nmr("/path/to/folder/")

jmstrat/NMR.Utils documentation built on July 14, 2019, 11:35 p.m.