data_global
_audit_creation_date 'Mon Oct 12 15:11:53 PDT 1998'
_audit_creation_method 'Maud, version 2.33'
_audit_update_record 'Last update Thu May 09 15:50:21 BST 2013'
_computing_structure_refinement 'Maud, version 2.33'
_refine_ls_R_factor_all 0.1318583
_refine_ls_wR_factor_all 0.20574842
_refine_ls_goodness_of_fit_all 0.10680712
_publ_contact_author_name 'Luca Lutterotti'
_publ_section_title 'Put a title here'
_pd_proc_ls_extract_int 'end of iteration'
_pd_proc_ls_texture_comp 'end of iteration'
_computing_reduce_memory_occ true
_pd_proc_ls_theoretical_weight false
_pd_proc_ls_extract_pos 'end of iteration'
_pd_proc_ls_strain_comp 'end of iteration'
_pd_proc_ls_extract_Fhkl 'end of iteration'
_pd_proc_ls_Fhkl_comp 'end of iteration'
_pd_proc_ls_weight_scheme sqrt
_refine_ls_weighting_scheme WgtSS
_refine_ls_WSS_factor 17563.422
_maud_store_spectra_with_analysis false
_riet_remove_phases_under 0.001
_riet_refine_cell_over 0.1
_riet_refine_sizestrain_over 0.1
_riet_refine_crystal_structure_over 0.1
_riet_refine_texture_over 0.15
_riet_refine_strain_over 0.25
_pd_proc_ls_interpolation_comp 'end of iteration'

#subordinateObject_Marqardt Least Squares

_computing_refinement_algorithm 'Marqardt Least Squares'

_refine_ls_number_iteration 5
_riet_refine_ls_precision 0.00000001
_riet_refine_ls_derivative_step 0.0001
_riet_refine_ls_double_derivative false

#end_subordinateObject_Marqardt Least Squares



data_sample_SB-G65-After
_pd_spec_description 'Sample description'
_riet_thin_film_phase_refinement films
_pd_spec_orientation_omega 0 #min 0.0 #max 0.0
_pd_spec_orientation_chi 0 #min 0.0 #max 0.0
_pd_spec_orientation_phi 0 #min 0.0 #max 0.0
_riet_par_spec_displac_x 0 #min 0.0 #max 0.0
_riet_par_spec_displac_y 0 #min 0.0 #max 0.0
_riet_par_spec_displac_z 0 #min 0.0 #max 0.0
_pd_spec_size_axial 0 #min 0.0 #max 0.0
_pd_spec_size_equat 0 #min 0.0 #max 0.0
_pd_spec_size_thick 0 #min 0.0 #max 0.0
_pd_spec_size_radius 0 #min 0.0 #max 0.0
_pd_spec_size_radius_y 0 #min 0.0 #max 0.0

#subordinateObject_flat_sheet

_pd_spec_shape 'flat_sheet'


#end_subordinateObject_flat_sheet


#subordinateObject_None Layer workout

_riet_layer_solution_method 'None Layer workout'


#end_subordinateObject_None Layer workout


#subordinateObject_No precession

_riet_spec_precession_error 'No precession'


#end_subordinateObject_No precession


#subordinateObject_layer1

_riet_spec_layer_id 'layer1'

_riet_par_spec_layer_thickness 1.0E7 #positive #min 0.1 #max 1.0E8
_reflectivity_layer_critical_qc 0.04 #positive #min 0.0010 #max 0.5
_reflectivity_layer_absorption 2.0E-7 #positive #min 1.0E-8 #max 1.0E-5
_reflectivity_layer_roughness 2.0 #positive #min 0.01 #max 100.0

loop_
_pd_phase_atom_%
  0.6687906 #positive #min 0.0 #max 1.0
  0.056937348 #positive #min 0.0 #max 1.0
  0.27427205 #positive #min 0.0 #max 21.740398


#end_subordinateObject_layer1


#subordinateObject_SB-G65-after

_pd_meas_dataset_id 'SB-G65-after'

_pd_meas_datetime_initiated 'Date/time meas'
_pd_meas_info_author_name ?
_riet_meas_datafile_format ?
_pd_proc_ls_background_function ?
_pd_proc_ls_profile_function ?
_pd_proc_ls_peak_cutoff 30
_pd_proc_2theta_range_min 0
_pd_proc_2theta_range_max 0
_pd_proc_2theta_range_inc ?
_diffrn_ambient_pressure ?
_diffrn_ambient_temperature ?
_riet_lorentz_restricted true
_riet_par_background_interpolated false
_riet_par_background_interpolation_range 10
_riet_meas_dataset_compute true
_riet_meas_datafile_replace false
_riet_meas_dataset_random_texture false
_riet_par_background_exp_shift 0 #min 0.0 #max 0.0
_riet_par_background_exp_thermal_shift 0 #min 0.0 #max 0.0
_pd_spec_orientation_omega 0 #min 0.0 #max 0.0
_pd_spec_orientation_chi 0 #min 0.0 #max 0.0
_pd_spec_orientation_phi 0 #min 0.0 #max 0.0

loop_
_riet_par_background_pol
  133.51048 #min 0.0 #max 0.0
  -3.8674955 #min -77.26483 #max 0.0
  0.0564561 #min -77.26483 #max 0.0
  -3.7068027E-4 #min 0.0 #max 0.0
  8.240464E-7 #min 0.0 #max 0.0


#subordinateObject_Le Bail

_riet_intensity_extraction 'Le Bail'

_riet_lebail_iteration_max 5
_riet_lebail_error_max 0.0050
_riet_lebail_range_factor 0.05
_riet_lebail_use_bkg true
_riet_lebail_use_hkl true
_riet_lebail_summation_delta 1.0E-4

#end_subordinateObject_Le Bail


#subordinateObject_none pe

_riet_position_extraction 'none pe'


#end_subordinateObject_none pe


#subordinateObject_none reflectivity

_reflectivity_model_type 'none reflectivity'


#end_subordinateObject_none reflectivity


#subordinateObject_Diffraction Instrument

_diffrn_measurement_device 'Diffraction Instrument'

_diffrn_measurement_device_type 'Diffraction Instrument'
_pd_proc_intensity_incident 6.7854457 #positive #min 0.0 #max 10000.0

loop_
_riet_par_2-theta_offset
  -0.1568865 #min 0.0 #max 0.0


#subordinateObject_none cal

_inst_intensity_calibration 'none cal'


#end_subordinateObject_none cal


#subordinateObject_Instrument disalignment

_inst_angular_calibration 'Instrument disalignment'


#end_subordinateObject_Instrument disalignment


#subordinateObject_Bragg-Brentano

_pd_instr_geometry 'Bragg-Brentano'

_diffrn_radiation_monochromator Filtered
_pd_instr_2theta_monochr_post 0
_pd_instr_dist_src/samp 175.0
_pd_instr_monochr_pre_spec none
_pd_instr_2theta_monochr_pre 0
_pd_instr_divg_ax_src/samp 0.0
_pd_instr_divg_slit_auto false
_diffrn_radiation_polarisn_norm 0 #min 0.0 #max 360.0
_diffrn_radiation_polarisn_ratio 0 #min 0.0 #max 1.0

#end_subordinateObject_Bragg-Brentano


#subordinateObject_Theta-2Theta

_diffrn_measurement_method 'Theta-2Theta'


#end_subordinateObject_Theta-2Theta


#subordinateObject_X-ray tube

_diffrn_radiation_type 'X-ray tube'


#subordinateObject_1

_diffrn_radiation_wavelength_id '1'

_diffrn_radiation_wavelength 1.5405982 #min 0.1 #max 10.0
_diffrn_radiation_wavelength_wt 1.0 #min 0.0 #max 1.01

#end_subordinateObject_1


#subordinateObject_2

_diffrn_radiation_wavelength_id '2'

_diffrn_radiation_wavelength 1.544497 #min 0.1 #max 10.0
_diffrn_radiation_wavelength_wt 0.5 #min 0.0 #max 1.01

#end_subordinateObject_2


#end_subordinateObject_X-ray tube


#subordinateObject_Scintillation

_diffrn_radiation_detector 'Scintillation'


#end_subordinateObject_Scintillation


#subordinateObject_Caglioti PV

_diffrn_inst_broadening 'Caglioti PV'

_riet_caglioti_d_dep true
_riet_asymmetry_tan_dep false
_riet_omega/chi_broadening_convoluted false
_riet_par_asymmetry_truncation 0.4

loop_
_riet_par_asymmetry_value
  72.17134 #min 5.0 #max 1000.0
  -0.229337 #min -10.0 #max 10.0

loop_
_riet_par_caglioti_value
  0.00252935 #min -0.1 #max 0.1
  0.002716717 #min -0.3 #max 0.3
  0.002312246 #min -0.5 #max 0.5

loop_
_riet_par_gaussian_value
  0 #min 0.0 #max 0.0
  0.012 #min -0.1 #max 0.1


#end_subordinateObject_Caglioti PV


#subordinateObject_none abs

_exptl_absorpt_correction_type 'none abs'


#end_subordinateObject_none abs


#end_subordinateObject_Diffraction Instrument


#subordinateObject_none fluorescence

_fluorescence_model_type 'none fluorescence'


#end_subordinateObject_none fluorescence


#subordinateObject_../SB-G65.xrdml(0)

_riet_meas_datafile_name '../SB-G65.xrdml(0)'

_riet_meas_datafile_format ?
_pd_meas_orientation_omega 0.0
_pd_meas_orientation_chi 0.0
_pd_meas_orientation_phi 0.0
_pd_meas_orientation_eta 0.0
_riet_meas_datafile_compute true
_riet_meas_datafile_fitting false
_pd_meas_detector_id none
_pd_meas_step_count_time 10.00
_pd_meas_units_of_intensity counts
_riet_meas_datafile_as_background false
_riet_meas_data_group_count 1
_riet_datafile_type 0
_riet_datafile_save_custom ?
_pd_meas_image_id -1
_riet_background_interpolated_manual false
_pd_meas_counts_monitor 1.0 #positive #min 0.0 #max 10.0
_riet_par_spec_displac_x_2R 0 #min -10.0 #max 10.0
_riet_par_spec_displac_z_2R 0 #min -10.0 #max 10.0


#end_subordinateObject_../SB-G65.xrdml(0)


#end_subordinateObject_SB-G65-after


#subordinateObject_Martensite

_pd_phase_name 'Martensite'

_chemical_name_common Martensite
_chemical_formula_sum 'Phase unknown'
_symmetry_cell_setting tetragonal
_symmetry_space_group_name_H-M I-4
_cell_formula_units_Z 1
_refine_ls_d_res_low 0
_refine_ls_d_res_high 5000
_reflns_d_resolution_low 0.7
_reflns_d_resolution_high 50
_cell_length_a 2.891856(3.3643094E-4) #positive #min 5.0 #max 30.0
_cell_length_b 2.891856(2.0) #positive #min 5.0 #max 30.0
_cell_length_c 2.859399(7.5606065E-4) #positive #min 5.0 #max 30.0
_cell_angle_alpha 90 #positive #min 90.0 #max 120.0
_cell_angle_beta 90 #positive #min 90.0 #max 120.0
_cell_angle_gamma 90 #positive #min 90.0 #max 120.0
_riet_par_strain_thermal 0 #min -0.1 #max 0.1
_exptl_absorpt_cryst_size 0 #positive #min 0.001 #max 100.0
_riet_par_phase_scale_factor 1.2 #positive #min 0.0 #max 100.0


#subordinateObject_none tex

_pd_proc_ls_pref_orient_corr 'none tex'


#end_subordinateObject_none tex


#subordinateObject_Delf

_riet_size_strain_model 'Delf'


#end_subordinateObject_Delf


#subordinateObject_Popa rules

_riet_sizestrain_sym_model 'Popa rules'

_rita_harmonic_expansion_degree 4

loop_
_riet_par_anisocryst_size
  672.3011 #min 5.0 #max 10000.0
  -454.3521 #min -1000.0 #max 1000.0
  1101.7301 #min -1000.0 #max 11950.396
  -273.7166 #min -1000.0 #max 1000.0
  -126.06199 #min -1000.0 #max 1000.0

loop_
_riet_par_aniso_microstrain
  0.005210699 #min -0.1 #max 0.1
  0.017119225 #min -0.1 #max 0.1
  -0.012684541 #min -0.1 #max 0.1
  -0.014200195 #min -0.1 #max 0.1
  0.011042226 #min -0.1 #max 0.1


#end_subordinateObject_Popa rules


#subordinateObject_none abm

_riet_antiphase_boundary 'none abm'


#end_subordinateObject_none abm


#subordinateObject_none pd

_riet_planar_defect 'none pd'


#end_subordinateObject_none pd


#subordinateObject_no magnetic

_riet_magnetic_structure_model 'no magnetic'


#end_subordinateObject_no magnetic


#subordinateObject_no strain

_riet_par_strain_model 'no strain'


#end_subordinateObject_no strain


#subordinateObject_No microabsorption

_riet_micro_absorption_model 'No microabsorption'


#end_subordinateObject_No microabsorption


#subordinateObject_Atomic Structure

_riet_structure_model 'Atomic Structure'

_riet_structure_quantity_from_occupancy true
_refine_ls_energy_weight 1.0

#subordinateObject_Genetic Algorithm SDPD

_riet_structure_solution_method 'Genetic Algorithm SDPD'

_riet_ga_population_size 500
_riet_ga_generations_number 20
_riet_ga_mutation_prob 0.01
_riet_ga_permutation_prob 0.01

#end_subordinateObject_Genetic Algorithm SDPD


#subordinateObject_No force field

_riet_structure_force_field 'No force field'


#end_subordinateObject_No force field


#subordinateObject_Fe

_atom_site_label 'Fe'

_atom_site_type_symbol Fe
_atom_site_constraints ?
_atom_type_number_in_cell 2.0
_atom_site_calc_flag .
_atom_site_occupancy 1.000000 #positive #min 0.0 #max 1.0
_atom_site_fract_x 0 #min 0.0 #max 1.0
_atom_site_fract_y 0 #min 0.0 #max 1.0
_atom_site_fract_z 0 #min 0.0 #max 1.0
_atom_site_B_iso_or_equiv -0.5939843 #min -1.0 #max 10.0 #ref0
_atom_site_aniso_B_11 0 #min -1.0 #max 10.0
_atom_site_aniso_B_22 0 #min -1.0 #max 10.0
_atom_site_aniso_B_33 0 #min -1.0 #max 10.0
_atom_site_aniso_B_23 0 #min -1.0 #max 10.0
_atom_site_aniso_B_13 0 #min -1.0 #max 10.0
_atom_site_aniso_B_12 0 #min -1.0 #max 10.0

#end_subordinateObject_Fe


#end_subordinateObject_Atomic Structure


#subordinateObject_atomic standard model

_riet_structure_factor_model 'atomic standard model'


#end_subordinateObject_atomic standard model


#subordinateObject_Le Bail

_riet_structure_factor_extractor 'Le Bail'

_riet_lebail_iteration_max 5
_riet_lebail_error_max 0.005
_riet_lebail_range_factor 0.05
_riet_lebail_use_bkg true
_riet_lebail_summation_delta 1.0E-4
_riet_lebail_use_previous_factors true

#end_subordinateObject_Le Bail


#subordinateObject_Genetic Algorithm SDPD

_riet_structure_solution_method 'Genetic Algorithm SDPD'

_riet_ga_population_size 500
_riet_ga_generations_number 20
_riet_ga_mutation_prob 0.01
_riet_ga_permutation_prob 0.01

#end_subordinateObject_Genetic Algorithm SDPD


#subordinateObject_None TDS

_riet_tds_model 'None TDS'


#end_subordinateObject_None TDS


#end_subordinateObject_Martensite


#subordinateObject_Austenite

_pd_phase_name 'Austenite'

_chemical_name_common Austenite
_chemical_formula_sum 'Phase unknown'
_symmetry_cell_setting cubic
_symmetry_space_group_name_H-M Fm-3m
_cell_formula_units_Z 1
_refine_ls_d_res_low 0
_refine_ls_d_res_high 5000
_reflns_d_resolution_low 0.7
_reflns_d_resolution_high 50
_cell_length_a 3.6186302(5.700771E-4) #positive #min 5.0 #max 30.0
_cell_length_b 3.6186302(4.0) #positive #min 5.0 #max 30.0
_cell_length_c 3.6186302(4.0) #positive #min 5.0 #max 30.0
_cell_angle_alpha 90 #positive #min 90.0 #max 120.0
_cell_angle_beta 90 #positive #min 90.0 #max 120.0
_cell_angle_gamma 90 #positive #min 90.0 #max 120.0
_riet_par_strain_thermal 0 #min -0.1 #max 0.1
_exptl_absorpt_cryst_size 0.42649165 #positive #min 0.001 #max 100.0
_riet_par_phase_scale_factor 4.8 #positive #min 0.0 #max 100.0


#subordinateObject_none tex

_pd_proc_ls_pref_orient_corr 'none tex'


#end_subordinateObject_none tex


#subordinateObject_Delf

_riet_size_strain_model 'Delf'


#end_subordinateObject_Delf


#subordinateObject_Popa rules

_riet_sizestrain_sym_model 'Popa rules'

_rita_harmonic_expansion_degree 4

loop_
_riet_par_anisocryst_size
  144.53609 #min 5.0 #max 10000.0
  -26.911087 #min -1000.0 #max 1000.0

loop_
_riet_par_aniso_microstrain
  0.002060811 #min -0.1 #max 0.1
  0 #min -0.1 #max 0.1


#end_subordinateObject_Popa rules


#subordinateObject_none abm

_riet_antiphase_boundary 'none abm'


#end_subordinateObject_none abm


#subordinateObject_none pd

_riet_planar_defect 'none pd'


#end_subordinateObject_none pd


#subordinateObject_no magnetic

_riet_magnetic_structure_model 'no magnetic'


#end_subordinateObject_no magnetic


#subordinateObject_no strain

_riet_par_strain_model 'no strain'


#end_subordinateObject_no strain


#subordinateObject_No microabsorption

_riet_micro_absorption_model 'No microabsorption'


#end_subordinateObject_No microabsorption


#subordinateObject_Atomic Structure

_riet_structure_model 'Atomic Structure'

_riet_structure_quantity_from_occupancy true
_refine_ls_energy_weight 1.0

#subordinateObject_Genetic Algorithm SDPD

_riet_structure_solution_method 'Genetic Algorithm SDPD'

_riet_ga_population_size 500
_riet_ga_generations_number 20
_riet_ga_mutation_prob 0.01
_riet_ga_permutation_prob 0.01

#end_subordinateObject_Genetic Algorithm SDPD


#subordinateObject_No force field

_riet_structure_force_field 'No force field'


#end_subordinateObject_No force field


#subordinateObject_Fe

_atom_site_label 'Fe'

_atom_site_type_symbol Fe
_atom_site_constraints ?
_atom_type_number_in_cell 4.0
_atom_site_calc_flag .
_atom_site_occupancy 1.000000 #positive #min 0.0 #max 1.0
_atom_site_fract_x 0 #min 0.0 #max 1.0
_atom_site_fract_y 0 #min 0.0 #max 1.0
_atom_site_fract_z 0 #min 0.0 #max 1.0
_atom_site_B_iso_or_equiv -0.5939843 #min -1.0 #max 10.0 #equalTo 0 + 1 * #ref0
_atom_site_aniso_B_11 0 #min -1.0 #max 10.0
_atom_site_aniso_B_22 0 #min -1.0 #max 10.0
_atom_site_aniso_B_33 0 #min -1.0 #max 10.0
_atom_site_aniso_B_23 0 #min -1.0 #max 10.0
_atom_site_aniso_B_13 0 #min -1.0 #max 10.0
_atom_site_aniso_B_12 0 #min -1.0 #max 10.0

#end_subordinateObject_Fe


#end_subordinateObject_Atomic Structure


#subordinateObject_atomic standard model

_riet_structure_factor_model 'atomic standard model'


#end_subordinateObject_atomic standard model


#subordinateObject_Le Bail

_riet_structure_factor_extractor 'Le Bail'

_riet_lebail_iteration_max 5
_riet_lebail_error_max 0.005
_riet_lebail_range_factor 0.05
_riet_lebail_use_bkg true
_riet_lebail_summation_delta 1.0E-4
_riet_lebail_use_previous_factors true

#end_subordinateObject_Le Bail


#subordinateObject_Genetic Algorithm SDPD

_riet_structure_solution_method 'Genetic Algorithm SDPD'

_riet_ga_population_size 500
_riet_ga_generations_number 20
_riet_ga_mutation_prob 0.01
_riet_ga_permutation_prob 0.01

#end_subordinateObject_Genetic Algorithm SDPD


#subordinateObject_None TDS

_riet_tds_model 'None TDS'


#end_subordinateObject_None TDS


#end_subordinateObject_Austenite


#subordinateObject_Ferrite

_pd_phase_name 'Ferrite'

_chemical_name_common Ferrite
_chemical_formula_sum 'Phase unknown'
_symmetry_cell_setting cubic
_symmetry_space_group_name_H-M Im-3m
_cell_formula_units_Z 1
_refine_ls_d_res_low 0
_refine_ls_d_res_high 5000
_reflns_d_resolution_low 0.7
_reflns_d_resolution_high 50
_cell_length_a 2.874111(1.665778E-4) #positive #min 5.0 #max 30.0
_cell_length_b 2.874111(3.0) #positive #min 5.0 #max 30.0
_cell_length_c 2.874111(3.0) #positive #min 5.0 #max 30.0
_cell_angle_alpha 90 #positive #min 90.0 #max 120.0
_cell_angle_beta 90 #positive #min 90.0 #max 120.0
_cell_angle_gamma 90 #positive #min 90.0 #max 120.0
_riet_par_strain_thermal 0 #min -0.1 #max 0.1
_exptl_absorpt_cryst_size 0 #positive #min 0.001 #max 100.0
_riet_par_phase_scale_factor 3.2 #positive #min 0.0 #max 100.0


#subordinateObject_none tex

_pd_proc_ls_pref_orient_corr 'none tex'


#end_subordinateObject_none tex


#subordinateObject_Delf

_riet_size_strain_model 'Delf'


#end_subordinateObject_Delf


#subordinateObject_Popa rules

_riet_sizestrain_sym_model 'Popa rules'

_rita_harmonic_expansion_degree 4

loop_
_riet_par_anisocryst_size
  345.56393 #min 5.0 #max 10000.0
  -160.28221 #min -1000.0 #max 1000.0

loop_
_riet_par_aniso_microstrain
  -0.0038593502 #min -0.1 #max 0.1
  0.0011687296 #min -0.1 #max 0.1


#end_subordinateObject_Popa rules


#subordinateObject_none abm

_riet_antiphase_boundary 'none abm'


#end_subordinateObject_none abm


#subordinateObject_none pd

_riet_planar_defect 'none pd'


#end_subordinateObject_none pd


#subordinateObject_no magnetic

_riet_magnetic_structure_model 'no magnetic'


#end_subordinateObject_no magnetic


#subordinateObject_no strain

_riet_par_strain_model 'no strain'


#end_subordinateObject_no strain


#subordinateObject_No microabsorption

_riet_micro_absorption_model 'No microabsorption'


#end_subordinateObject_No microabsorption


#subordinateObject_Atomic Structure

_riet_structure_model 'Atomic Structure'

_riet_structure_quantity_from_occupancy true
_refine_ls_energy_weight 1.0

#subordinateObject_Genetic Algorithm SDPD

_riet_structure_solution_method 'Genetic Algorithm SDPD'

_riet_ga_population_size 500
_riet_ga_generations_number 20
_riet_ga_mutation_prob 0.01
_riet_ga_permutation_prob 0.01

#end_subordinateObject_Genetic Algorithm SDPD


#subordinateObject_No force field

_riet_structure_force_field 'No force field'


#end_subordinateObject_No force field


#subordinateObject_Fe

_atom_site_label 'Fe'

_atom_site_type_symbol Fe
_atom_site_constraints ?
_atom_type_number_in_cell 2.0
_atom_site_calc_flag .
_atom_site_occupancy 1.000000 #positive #min 0.0 #max 1.0
_atom_site_fract_x 0 #min 0.0 #max 1.0
_atom_site_fract_y 0 #min 0.0 #max 1.0
_atom_site_fract_z 0 #min 0.0 #max 1.0
_atom_site_B_iso_or_equiv -0.5939843 #min -1.0 #max 10.0
_atom_site_aniso_B_11 0 #min -1.0 #max 10.0
_atom_site_aniso_B_22 0 #min -1.0 #max 10.0
_atom_site_aniso_B_33 0 #min -1.0 #max 10.0
_atom_site_aniso_B_23 0 #min -1.0 #max 10.0
_atom_site_aniso_B_13 0 #min -1.0 #max 10.0
_atom_site_aniso_B_12 0 #min -1.0 #max 10.0

#end_subordinateObject_Fe


#end_subordinateObject_Atomic Structure


#subordinateObject_atomic standard model

_riet_structure_factor_model 'atomic standard model'


#end_subordinateObject_atomic standard model


#subordinateObject_Le Bail

_riet_structure_factor_extractor 'Le Bail'

_riet_lebail_iteration_max 5
_riet_lebail_error_max 0.005
_riet_lebail_range_factor 0.05
_riet_lebail_use_bkg true
_riet_lebail_summation_delta 1.0E-4
_riet_lebail_use_previous_factors true

#end_subordinateObject_Le Bail


#subordinateObject_Genetic Algorithm SDPD

_riet_structure_solution_method 'Genetic Algorithm SDPD'

_riet_ga_population_size 500
_riet_ga_generations_number 20
_riet_ga_mutation_prob 0.01
_riet_ga_permutation_prob 0.01

#end_subordinateObject_Genetic Algorithm SDPD


#subordinateObject_None TDS

_riet_tds_model 'None TDS'


#end_subordinateObject_None TDS


#end_subordinateObject_Ferrite


