readBruker: Read Raw Binary Bruker NMR Spectra

In batman: Bayesian AuTomated Metabolite Analyser for NMR spectra

Description

Read in multiple raw binary Bruker NMR spectra (1D) from a specified folder, and return a matrix with columns:

[ppm, spectrum 1, spectrum 2, ...].

Interpolation may be performed if spectra have different ppm scales.

Usage

readBruker(BrukerDataDir)

Arguments

BrukerDataDir

The directory of the folder containing 1D Bruker spectral data files. Recursively finds all the "1r" files in datapath and read in.

Value

It returns a matrix with columns:

[ppm, spectrum 1, spectrum 2, ...].

Examples

library(batman)
## Read in all Burker NMR spectra files, replace "/your/data/path/here" with the
## directory of the data files you want to read.
## brukerdata<-readBruker("/your/data/path/here")

Example output

batman documentation built on May 2, 2019, 6:13 p.m.