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---
jupytext:
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text_representation:
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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)
```
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