File tree Expand file tree Collapse file tree 1 file changed +8
-16
lines changed Expand file tree Collapse file tree 1 file changed +8
-16
lines changed Original file line number Diff line number Diff line change 244244project .analysis .fit_mode = 'joint'
245245
246246# %% [markdown]
247- # ### Plot Measured vs Calculated
248-
249- # %%
250- project .plot_meas_vs_calc (expt_name = 'wish_5_6' , show_residual = True )
251-
252- # %%
253- project .plot_meas_vs_calc (expt_name = 'wish_4_7' , show_residual = True )
254-
255- # %% [markdown]
256- # ### Perform Fit
257- #
258- # Set parameters to be refined.
247+ # ### Set free parameters
259248
260249# %%
261250model .atom_sites ['Ca' ].fract_x .free = True
297286expt47 .peak .asym_alpha_1 .free = True
298287
299288# %% [markdown]
300- # Show free parameters after selection.
289+ # ### Plot Measured vs Calculated
290+
291+ # %%
292+ project .plot_meas_vs_calc (expt_name = 'wish_5_6' , show_residual = True )
301293
302294# %%
303- project .analysis . show_free_params ( )
295+ project .plot_meas_vs_calc ( expt_name = 'wish_4_7' , show_residual = True )
304296
305297# %% [markdown]
306- # #### Run Fit
298+ # ### Run Fit
307299
308300# %%
309301project .analysis .fit ()
310302
311303# %% [markdown]
312- # #### Plot Measured vs Calculated
304+ # ### Plot Measured vs Calculated
313305
314306# %%
315307project .plot_meas_vs_calc (expt_name = 'wish_5_6' , show_residual = True )
You can’t perform that action at this time.
0 commit comments