Isotope patter overlay
Created by: michelleting
I tried running the script with the both your file in the validation folder and with my data but the output figure would only show the mass peak but not the isotope patter bars. see attached pics. The Ar-I+ figure doesn't even have the isotope pattern bars. Wondering what is going on...?
@line 424 of molecule.py (out[0].append(x)) BAR x = [479.04256000000004, 480.04594086958247, 481.04927, 482.052625] y = [100.0, 27.280848507524876, 3.509399355066259, 0.24494730118962427] Automatically determining m/z window: 477 - 482
@line 927 of tome.py (ax.bar) AXBAR simdict[species]['x'] = [479.04256000000004, 480.04594086958247, 481.04927, 482.052625] simdict[species]['y'] = [0.4452669723598899, 0.12147260818354422, 0.015626196256321032, 0.0010906694318843005]