# Differences

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 d [2009/08/06 15:33]clare d [2009/08/06 15:35]clare Both sides previous revision Previous revision 2009/08/27 12:13 clare 2009/08/06 15:35 clare 2009/08/06 15:33 clare 2009/08/04 15:32 clare 2009/08/04 15:30 clare 2009/08/04 15:26 clare 2009/08/04 15:26 clare created 2009/08/27 12:13 clare 2009/08/06 15:35 clare 2009/08/06 15:33 clare 2009/08/04 15:32 clare 2009/08/04 15:30 clare 2009/08/04 15:26 clare 2009/08/04 15:26 clare created Next revision Both sides next revision Line 3: Line 3: **[//​default_I_attributes//​ E]** **[//​default_I_attributes//​ E]** - ** ** + Changes the attributes of the //I// parameter, for example, xo_Is default_I_attributes 0 min 0.001 val_on_continue 1 Useful when randomising lattice parameters during Le Bail refinements with //​continue_after_convergence//​. Changes the attributes of the //I// parameter, for example, xo_Is default_I_attributes 0 min 0.001 val_on_continue 1 Useful when randomising lattice parameters during Le Bail refinements with //​continue_after_convergence//​. Line 11: Line 11: **[//​d_Is//​]... [//d// E //I// E]...** **[//​d_Is//​]... [//d// E //I// E]...** - ** ** + Defines a phase type that uses d-spacing values for generating peak positions. //d// corresponds to the peak position in d-space in Å and //I// is the intensity parameter before applying any //​scale_pks//​ equations. Defines a phase type that uses d-spacing values for generating peak positions. //d// corresponds to the peak position in d-space in Å and //I// is the intensity parameter before applying any //​scale_pks//​ equations. Line 19: Line 19: **[//​do_errors//​]** **[//​do_errors//​]** - + Errors for refined parameters (ESD'​s) and a correlation matrix are calculated at the end of refinement. The correlation matrix if defined using //​C_matrix_normalized//​is updated, if not defined then //​C_matrix_normalized//​is automatically defined and appeneded to the OUT file. Errors for refined parameters (ESD'​s) and a correlation matrix are calculated at the end of refinement. The correlation matrix if defined using //​C_matrix_normalized//​is updated, if not defined then //​C_matrix_normalized//​is automatically defined and appeneded to the OUT file. Line 27: Line 27: **[//​d_spacing_to_energy_in_eV_for_f1_f11//​ !E]** **[//​d_spacing_to_energy_in_eV_for_f1_f11//​ !E]** - + Can be a function of the reserved parameter D_spacing. Changes f' and f" (see section 7.1) to correspond to energies as given by //​d_spacing_to_energy_in_eV_for_f1_f11//​. Used for refining on energy dispersive data, for example, ' E(eV) = 10^5 / (8.065541 Lambda(A)) prm !detector_angle_in_radians = 7.77 Deg_on_2; prm wavelength = 2 D_spacing Sin(detector_angle_in_radians);​ prm energy_in_eV = 10^5 / (8.065541 wavelength);​ pk_xo = 10^-3 energy_in_eV + zero; d_spacing_to_energy_in_eV_for_f1_f11 = energy_in_eV;​ Can be a function of the reserved parameter D_spacing. Changes f' and f" (see section 7.1) to correspond to energies as given by //​d_spacing_to_energy_in_eV_for_f1_f11//​. Used for refining on energy dispersive data, for example, ' E(eV) = 10^5 / (8.065541 Lambda(A)) prm !detector_angle_in_radians = 7.77 Deg_on_2; prm wavelength = 2 D_spacing Sin(detector_angle_in_radians);​ prm energy_in_eV = 10^5 / (8.065541 wavelength);​ pk_xo = 10^-3 energy_in_eV + zero; d_spacing_to_energy_in_eV_for_f1_f11 = energy_in_eV;​ - + See example ED_SI_STR.INP. See example ED_SI_STR.INP.