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lines changed Original file line number Diff line number Diff line change 244
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project .analysis .fit_mode = 'joint'
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# %% [markdown]
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- # ### Plot Measured vs Calculated
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-
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- # %%
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- project .plot_meas_vs_calc (expt_name = 'wish_5_6' , show_residual = True )
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-
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- # %%
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- project .plot_meas_vs_calc (expt_name = 'wish_4_7' , show_residual = True )
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-
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- # %% [markdown]
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- # ### Perform Fit
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- #
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- # Set parameters to be refined.
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+ # ### Set free parameters
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# %%
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model .atom_sites ['Ca' ].fract_x .free = True
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expt47 .peak .asym_alpha_1 .free = True
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# %% [markdown]
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- # Show free parameters after selection.
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+ # ### Plot Measured vs Calculated
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+
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+ # %%
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+ project .plot_meas_vs_calc (expt_name = 'wish_5_6' , show_residual = True )
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# %%
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- project .analysis . show_free_params ( )
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+ project .plot_meas_vs_calc ( expt_name = 'wish_4_7' , show_residual = True )
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# %% [markdown]
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- # #### Run Fit
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+ # ### Run Fit
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# %%
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project .analysis .fit ()
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# %% [markdown]
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- # #### Plot Measured vs Calculated
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+ # ### Plot Measured vs Calculated
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# %%
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project .plot_meas_vs_calc (expt_name = 'wish_5_6' , show_residual = True )
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