Using CHROMALGEMA
input files
|
Sample name
|
Comments
|
parameter file
|
param.dat
|
mandatory
|
injection files (1 per experiment)
|
mydata.ini#
|
mandatory, # index of experiment
|
initial state files (1 per experiment)
|
mydata.inj#
|
mandatory, # index of experiment
|
observation files (1 per experiment)
|
mydata.obs#
|
mandatory, # index of experiment
|
ghost file for interactive graphics
|
ghost.out
|
optional, must be named ghost.out
|
output files
|
Name
|
Comments
|
simulated chromatograms (1 per experiment)
|
colonne#.out
|
# index of experiment
|
|
Chromalgema$.status
|
$ number of components
|
|
Chrom.res
|
|
interpolated injection (1 per experiment)
|
inj.lu#
|
# index of experiment
|
interpolated initial state (1 per experiment)
|
ini.lu#
|
# index of experiment
|
interpolated observation (1 per experiment)
|
obs.lu#
|
# index of experiment
|
Refer to the
Parameters section
to get information on the structure of the
param.dat data file.
The command line to run the program for
N
components is then
prompt$> ChromalgemaN @param.dat
