Graphical representation of XPS Data

Germain Salvato Vallverdu germain.vallverdu@univ-pau.fr

This notebook shows how make a graphical representation of a series of XPS data experiments.

Data are read from a vms file
Data are plotted against Binding Energy (BE)

This notebook only deals with how to use the xpsplot. Look at read_XPS_data_long.ipynb for more details on the implementation.

This module relies on matplotlib, pandas and numpy modules.



In [1]:

    
%matplotlib inline



In [2]:

    
import xpsplot

First example : plot one file

1) Load the vms file



In [3]:

    
report1 = xpsplot.XPSData.from_file("report1.TXT")
print(report1)









    



filename : report1.TXT
path     : /home/user/work/kalpha/compounds/data.vms
title    : C1s Scan
source   : 1486.68 eV
columns  : KE ; Exp ; Comp_1 ; Comp_2 ; Comp_3 ; Comp_4 ; Comp_5 ; Comp_6 ; Comp_7 ; BG ; envelope

2) Manage column names



In [4]:

    
report1.set_all_column_names("", "", "carb", "", "", "tata", "toto", "titi", "tutu")
report1.list_columns()









    



KE
Exp
carb
Comp_2
Comp_3
tata
toto
titi
tutu
BG
envelope

3) plot the data.

Here we selected the following options :

we select spectif columns according to previously defined names
component are fille (fill=True)
the name of the file is not written (fname=False)



In [5]:

    
report1.get_plot(columns=["Exp", "carb", "titi", "tutu"], fill=True, fname=False)









    Out[5]:





<matplotlib.axes._subplots.AxesSubplot at 0x7fcb6c06f668>

Example 2 : stack several XPS plots

1) load several vms files



In [6]:

    
stuff = xpsplot.StackedXPSData("report1.TXT", "report2.TXT", "report2.TXT")
print(stuff)









    



C1s Scan
------------------------------
filename : report1.TXT
path     : /home/user/work/kalpha/compounds/data.vms
title    : C1s Scan
source   : 1486.68 eV
columns  : KE ; Exp ; Comp_1 ; Comp_2 ; Comp_3 ; Comp_4 ; Comp_5 ; Comp_6 ; Comp_7 ; BG ; envelope

filename : report2.TXT
path     : /home/user/work/kalpha/compounds/data2.vms
title    : C1s Scan
source   : 1486.68 eV
columns  : KE ; Exp ; Comp_1 ; Comp_2 ; Comp_3 ; Comp_4 ; Comp_5 ; Comp_6 ; Comp_7 ; BG ; envelope

filename : report2.TXT
path     : /home/user/work/kalpha/compounds/data2.vms
title    : C1s Scan
source   : 1486.68 eV
columns  : KE ; Exp ; Comp_1 ; Comp_2 ; Comp_3 ; Comp_4 ; Comp_5 ; Comp_6 ; Comp_7 ; BG ; envelope

optionnaly set a title



In [7]:

    
stuff.title = "C1s of a nice surface"

2) define column names



In [8]:

    
stuff.set_all_column_names("", "", "carb", "", "", "tata", "toto", "titi", "tutu")
stuff.list_columns()









    



C1s Scan : report1.TXT
----------------------------------------
KE ; Exp ; carb ; Comp_2 ; Comp_3 ; tata ; toto ; titi ; tutu ; BG ; envelope

C1s Scan : report2.TXT
----------------------------------------
KE ; Exp ; carb ; Comp_2 ; Comp_3 ; tata ; toto ; titi ; tutu ; BG ; envelope

C1s Scan : report2.TXT
----------------------------------------
KE ; Exp ; carb ; Comp_2 ; Comp_3 ; tata ; toto ; titi ; tutu ; BG ; envelope

3) plot the data



In [9]:

    
fig = stuff.get_plot()

As previously you can select columns :



In [10]:

    
fig = stuff.get_plot(columns=["Exp", "carb", "titi", "tutu"])

You can also:

fill components
set horizontal lines at given positions



In [11]:

    
fig = stuff.get_plot(columns=["Exp", "carb", "titi", "tutu"], fill=True, pos=[284.5, 290.9, 286.5])