|
670 | 670 | # setting the `d_spacing` parameter to `True`. |
671 | 671 |
|
672 | 672 | # %% |
673 | | -project_1.plot_meas_vs_calc(expt_name='sim_si', d_spacing=True) |
| 673 | +project_1.plot_meas_vs_calc(expt_name='sim_si', x='d_spacing') |
674 | 674 |
|
675 | 675 | # %% [markdown] |
676 | 676 | # As you can see, the calculated diffraction pattern now matches the |
|
1208 | 1208 | # **Solution:** |
1209 | 1209 |
|
1210 | 1210 | # %% tags=["solution", "hide-input"] |
1211 | | -project_2.plot_meas_vs_calc(expt_name='sim_lbco', d_spacing=True) |
| 1211 | +project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing') |
1212 | 1212 |
|
1213 | 1213 | # %% [markdown] |
1214 | 1214 | # #### Exercise 5.6: Refine the Peak Profile Parameters |
|
1225 | 1225 | # perfectly describe the peak at about 1.38 Å, as can be seen below: |
1226 | 1226 |
|
1227 | 1227 | # %% |
1228 | | -project_2.plot_meas_vs_calc(expt_name='sim_lbco', d_spacing=True, x_min=1.35, x_max=1.40) |
| 1228 | +project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing', x_min=1.35, x_max=1.40) |
1229 | 1229 |
|
1230 | 1230 | # %% [markdown] |
1231 | 1231 | # The peak profile parameters are determined based on both the |
|
1260 | 1260 | project_2.analysis.fit() |
1261 | 1261 | project_2.analysis.show_fit_results() |
1262 | 1262 |
|
1263 | | -project_2.plot_meas_vs_calc(expt_name='sim_lbco', d_spacing=True, x_min=1.35, x_max=1.40) |
| 1263 | +project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing', x_min=1.35, x_max=1.40) |
1264 | 1264 |
|
1265 | 1265 | # %% [markdown] |
1266 | 1266 | # #### Exercise 5.7: Find Undefined Features |
|
1283 | 1283 | # **Solution:** |
1284 | 1284 |
|
1285 | 1285 | # %% tags=["solution", "hide-input"] |
1286 | | -project_2.plot_meas_vs_calc(expt_name='sim_lbco', x_min=1.53, x_max=1.7, d_spacing=True) |
| 1286 | +project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing', x_min=1.53, x_max=1.7) |
1287 | 1287 |
|
1288 | 1288 | # %% [markdown] |
1289 | 1289 | # #### Exercise 5.8: Identify the Cause of the Unexplained Peaks |
|
1348 | 1348 | # confirm this hypothesis. |
1349 | 1349 |
|
1350 | 1350 | # %% tags=["solution", "hide-input"] |
1351 | | -project_1.plot_meas_vs_calc(expt_name='sim_si', x_min=1, x_max=1.7, d_spacing=True) |
1352 | | -project_2.plot_meas_vs_calc(expt_name='sim_lbco', x_min=1, x_max=1.7, d_spacing=True) |
| 1351 | +project_1.plot_meas_vs_calc(expt_name='sim_si', x='d_spacing', x_min=1, x_max=1.7) |
| 1352 | +project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing', x_min=1, x_max=1.7) |
1353 | 1353 |
|
1354 | 1354 | # %% [markdown] |
1355 | 1355 | # #### Exercise 5.10: Create a Second Sample Model – Si as Impurity |
|
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