readBrukerZipped: Read Raw Binary Bruker NMR Spectra in Zipped format

In batman: Bayesian AuTomated Metabolite Analyser for NMR spectra

Description

Read in multiple raw binary Bruker NMR spectra (1D), with spectrum data in a zipped format, 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

readBrukerZipped(BrukerDataZipDir)

Arguments

BrukerDataZipDir

The directory of the folder containing zipped 1D Bruker spectral data files. Recursively finds all the "*.zip" files in datapath, unzipped them in the same folder, call "*.zip" files to read in spectra, and delete the unipped folders. If no "*.zip" file was found, it works the same as "*.zip" files.

Value

It returns a matrix same as readBruker, 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<-readBrukerZipped("/your/data/path/here")

Example output

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