Import.data {Metabonomic}R Documentation

Bruker spectra

Description

Import.data loads the Brucker Spectra for the metabonomic analysis.

Usage

Import.data()

Details

Import.data has been developed to load directly the spectra in the Bruker spectroscopy format. Import.data can also be executed by selecting the 'file/ Import Bruker file' tab of the Metabonomic GUI. The user has to select the raw data (FID file in the Bruker data directory). This application displays the spectrum reference and manages basic operations such as setting the chemical shift of a certain compound (TSP or DSS) to 0 ppm and zero order and first order phase corrections. When the first set of data is loaded, the GUI asks for a new array. After finishing importing all the spectra, the GUI asks for the ''info'' text file with the information of the different spectra, where the first column holds the names of the spectra and the different characteristics are in the followings columns. Applications to load other commercial data formats will be added soon.

Example of an info file:
Name Category Disease Sex
43FC Control Healthy F
45FC Control Healthy F
04MC Control Healthy M
54MC Control Healthy M
55FC Control Healthy F
55MC Control Healthy M
09FF Treated Smoker F
09MF Treated Smoker M
53Ff Treated Smoker F
53MF Treated Smoker M
10MA Treated Asthmatic M
11FA Treated Asthmatic F
11MA Treated Asthmatic F
42FA Treated Asthmatic F
42MA Treated Asthmatic M
46MA Treated Asthmatic M
19MA Treated Asthmatic M
46FA Treated Asthmatic F
49MA Treated Asthmatic M
50MA Treated Asthmatic M
12FE Treated Emphysema F
12ME Treated Emphysema M
37ME Treated Emphysema M
38FE Treated Emphysema F
41ME Treated Emphysema M
. . . .
. . . .
. . . .

Value

datos Spectra data frame
memory.Data Internal value
memory Internal value

Author(s)

Jose L. Izquierdo izquierdo@ieb.ucm.es


[Package Metabonomic version 3.1.2 Index]