@@ -75,15 +75,19 @@ i.e.,
7575 This makes it very easy to compare a diffraction pattern that was measured or calculated
7676on one ``xtype `` with one that was measured or calculated on another. E.g., suppose that you
7777have a calculated powder pattern from a CIF file that was calculated on a d-spacing grid using
78- some software package, and
79- you want to know if a diffraction pattern you have measured on a Q-grid is the same material.
78+ some software package, which you could find in the example data folder called `CeO2_dspacing.xy ` and
79+ you want to know if a diffraction pattern you have measured on a Q-grid, where the example data is also
80+ in the example data folder called `CeO2_mean_q.chi `, is the same material.
8081You could simply load them both as diffraction objects and plot them together on the same grid.
82+ Here the `xcalc ` is the first column in the `CeO2_dspacing.xy ` and `ycalc ` is the second column in the same
83+ file. Similarly, `xmeas ` corresponds to the first column in the `CeO2_mean_q.chi ` and `ymeas ` is the second column in
84+ the same file.
8185
8286.. code-block :: python
8387
84- calculated = DiffractionObject(xcalc = [ 0.251436 , 0.251542 , 0.251647 ], ycalc = [ - 1.020020 , - 1.036460 , - 1.142070 ] , " d" )
85- measured = DiffractionObject(xmeas = [ 5.343089004093959198e-03 , 5.343089004093959198e-03 , 2.671544437772708711e-02 ] ,
86- ymeas = [ 3.533951950073242188e+01 , 3.585629272460937500e+01 , 3.611056518554687500e+01 ], " q" , wavelength = 0.717 )
88+ calculated = DiffractionObject(xcalc, ycalc, " d" )
89+ measured = DiffractionObject(xmeas,
90+ ymeas, " q" , wavelength = 0.1 )
8791 plt.plot(calculated.on_q()[0 ], calculated.on_q()[1 ])
8892 plt.plot(measured.on_q()[0 ], measured.on_q()[1 ])
8993 plt.show()
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