Quick start tutorial¶
The main functionality of the xrdtools package is to read *.xrdml files. This can be easily achieved by running the following code, e.g. in a ipython prompt:
import xrdtools
data = xrdtools.read_xrdml('foo.xrdml')
The data returned from xrdtools.read_xrdml()
is stored in a dict
. In case of a simple line scan
(e.g. 2theta-omega scan) we can get the xy data as simple as:
x = data['x']
y = data['data']
And plot it for example with matplotlib.pyplot
:
from matplotlib import pyplot as plt
plt.plot(x, y)
plt.show()
Command line tool¶
Together with the xrdtools package a command line tool xrdml
is installed. It allows to extract
the recorded data from *.xrdml files into text files or the command prompt.
Export data into a text file:
$ xrdml my_xrdml_file.xrdml #another_file.xrdml ...
In case my_xrdml_file.xrdml is a simpe 2Theta-Omega scan, this will create a text file with two columns, one for the 2Theta angles and one for the Intensity.
Export data to the prompt:
$ xrdml my_xrdml_file.xrdml -o stdout
# 2Theta-Omega Intensity
1.500000000000000000e+01 9.000000000000000222e-01
1.501869158878504606e+01 5.999999999999999778e-01
...
The type of delimiter can be changed with the --delimiter
keyword argument:
$ xrdml my_xrdml_file.xrdml -o stdout --delimiter=','
# 2Theta-Omega,Intensity
1.500000000000000000e+01,9.000000000000000222e-01
1.501869158878504606e+01,5.999999999999999778e-01
...
The output format can be changed with the --fmt
keyword argument:
$ xrdml my_xrdml_file.xrdml -o stdout --fmt='%.2f'
# 2Theta-Omega Intensity
15.00 0.90
15.02 0.60
...