Import.data {Metabonomic} | R Documentation |
Import.data loads the Brucker Spectra for the metabonomic analysis.
Import.data()
Import.data has been developed to load directly the spectra in the Bruker commercial format and it will load the processed Bruker spectrum by TOPSPIN software one by one. The Bruker spectrum is saved as ''.../pdata/1/1r'' in the Bruker experiment's folder The 'procs' file and the acquisition information have to be in the same directory. This application also allow the spectrum reference by putting the chemical shift of certain compound (TSP or DSS) to be 0ppm. When the first spectrum is loaded, the GUI asks for a new spectrum. After finishing importing the spectra information, select a '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.
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 | |
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datos |
Spectra data frame |
memory.Data |
Internal value |
memory |
Internal value |
Jose L. Izquierdo izquierdo@ieb.ucm.es