_sources/tutorials/simulation/4th.md

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# The tutorial 4th 

Illustrates the simulation features built into the package for refinement purposes.

  > Note: For general-purpose diffraction simulation, please refer to the standalone toolkit 
  
## coding

> **1. Save your diffraction data to the root directory and rename the file to `intensity.csv`.**





```{code-cell}
# import PyXplore package
from PyXplore import WPEM
import pandas as pd
```



> Save the `.cif` file in the root directory and generate its powder diffraction pattern.

```{code-cell}
_,_,_ = WPEM.XRDSimulation(filepath='Mn2O3.cif',two_theta_range=(10, 120, 0.01),bacI=True,GrainSize=3,orientation=[-0.2, 0.3],thermo_vib=0.2,zero_shift=0.01)
```