saveBruker2Txt: Read Raw Binary Bruker NMR Spectra and save them to ASCII...

In batman: Bayesian AuTomated Metabolite Analyser for NMR spectra

Description

Save the multiple raw binary Bruker NMR spectra (1D) from a specified folder into ASCII file as a matrix with columns:

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

Interpolation may be performed if spectra have different ppm scales.

Usage

saveBruker2Txt(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.
saveFileName	The saved file name with extension.

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.