Esempio n. 1
0
from pyms.GCMS.Function import build_intensity_matrix


from pyms.Display.Function import plot_ic

# read the raw data as a GCMS_data object
andi_file = "/x/PyMS/data/gc01_0812_066.cdf"
data = ANDI_reader(andi_file)


# IntensityMatrix
# must build intensity matrix before accessing any intensity matrix methods.

# default, float masses with interval (bin interval) of one from min mass
print "default intensity matrix, bin interval = 1, boundary +/- 0.5"
im = build_intensity_matrix(data)


#
# IonChromatogram
#

# TIC from raw data
tic = data.get_tic()
# save TIC to a file

#Call function to store a plot of the TIC
plot_ic(tic, line_label = 'TIC', plot_title = 'TIC for gc01_0812_066')


Esempio n. 2
0
from pyms.GCMS.IO.ANDI.Function import ANDI_reader
from pyms.GCMS.Function import build_intensity_matrix

from pyms.Display.Function import plot_ic

# read the raw data as a GCMS_data object
andi_file = "/x/PyMS/data/gc01_0812_066.cdf"
data = ANDI_reader(andi_file)


# IntensityMatrix
# must build intensity matrix before accessing any intensity matrix methods.

# default, float masses with interval (bin interval) of one from min mass
print "default intensity matrix, bin interval = 1, boundary +/- 0.5"
im = build_intensity_matrix(data)


#
# IonChromatogram
#

# get the ion chromatogram for some m/z channel (73)
ic = im.get_ic_at_mass(73)



plot_ic(ic, line_label = '73', plot_title = 'TIC and ICs for m/z = 73 & 147')

Esempio n. 3
0
import sys
sys.path.append("/x/PyMS")

from pyms.GCMS.IO.ANDI.Function import ANDI_reader
from pyms.GCMS.Function import build_intensity_matrix

from pyms.Display.Function import plot_ic

# read the raw data as a GCMS_data object
andi_file = "/x/PyMS/data/gc01_0812_066.cdf"
data = ANDI_reader(andi_file)

# IntensityMatrix
# must build intensity matrix before accessing any intensity matrix methods.

# default, float masses with interval (bin interval) of one from min mass
print "default intensity matrix, bin interval = 1, boundary +/- 0.5"
im = build_intensity_matrix(data)

#
# IonChromatogram
#

# TIC from raw data
tic = data.get_tic()
# save TIC to a file

#Call function to store a plot of the TIC
plot_ic(tic, line_label='TIC', plot_title='TIC for gc01_0812_066')