Warning: Trying to access array offset on value of type null in /home/site/wwwroot/lib/plugins/move/action/rename.php on line 42
Warning: Cannot modify header information - headers already sent by (output started at /home/site/wwwroot/lib/plugins/move/action/rename.php:42) in /home/site/wwwroot/inc/Action/Export.php on line 106
Warning: Cannot modify header information - headers already sent by (output started at /home/site/wwwroot/lib/plugins/move/action/rename.php:42) in /home/site/wwwroot/inc/Action/Export.php on line 106
Warning: Cannot modify header information - headers already sent by (output started at /home/site/wwwroot/lib/plugins/move/action/rename.php:42) in /home/site/wwwroot/inc/Action/Export.php on line 106
====== d ======
**[//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//.
**[//degree_of_crystallinity// #]**
**[//crystalline_area// #]**
**[//amorphous_area// #]**
//degree_of_crystallinity// reports on the degree of crystallinity which is calculated as follows:
degree_of_crystallinity = 100
Get(crystalline_area)%%/(%%Get(crystalline_area)+Get(amorphous_area));
//crystalline_area// and //amorphous_area// corresponds to the sum of the numerical areas under the crystallines phases and amorphous phases respectively. Phases that have //amorphous_phase// defined are treated as amorphous phases in the calculation.
**[//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.
**[//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.
**[//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;
See example ED_SI_STR.INP.