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')
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')
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')