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k-factor [2021/03/31 07:32]
rowlesmr3 added link in description.
k-factor [2021/03/31 07:35]
rowlesmr3
Line 11: Line 11:
 do_errors do_errors
  
-'​--------------------------------------------------------+'​--------------------------------------------------------'
 ' K Factor calculation from external standard starts here ' K Factor calculation from external standard starts here
-' ​O'​Connor ​& Raven, Powder Diffraction 3(1) (1988) 2-6 +' ​OConnor ​& Raven, Powder Diffraction 3(1) (1988) 2-6 
-'​--------------------------------------------------------+'​--------------------------------------------------------'
  
-xdd "​External_Standard_Corundum.xy"​ 'XRD Pattern of external standard+xdd "​External_Standard_Corundum.xy"​ 'XRD Pattern of external standard'
 rebin_with_dx_of 0.02 rebin_with_dx_of 0.02
  
Line 26: Line 26:
 start_X 20 start_X 20
  
-str '​Többens,​ D.M. et al., Mat. Sci. Forum 378 (2001) 288-293+str '​Többens,​ D.M. et al., Mat. Sci. Forum 378 (2001) 288-293'
 phase_name "​Corundum"​ phase_name "​Corundum"​
 a a_Corundum ​ 4.76 min 4.74 max 4.78  a a_Corundum ​ 4.76 min 4.74 max 4.78 
Line 50: Line 50:
 prm Corundum_Lac = Get(mixture_MAC) Get(mixture_density_g_on_cm3);:​ 0 prm Corundum_Lac = Get(mixture_MAC) Get(mixture_density_g_on_cm3);:​ 0
  
-'​Calculation of K-Factor from external standard+'​Calculation of K-Factor from external standard'
 prm !KFactor = Scale_Corundum * ( 1.660538921 * (Mass_Corundum/​Volume_Corundum) ) * Volume_Corundum^2 * MAC_Corundum ​ / (Crystallinity_Corundum) ;: 0 prm !KFactor = Scale_Corundum * ( 1.660538921 * (Mass_Corundum/​Volume_Corundum) ) * Volume_Corundum^2 * MAC_Corundum ​ / (Crystallinity_Corundum) ;: 0
  
-'Macro for wt.-% from scale, MAC, cell volume and KFactor+'Macro for wt.-% from scale, MAC, cell volume and KFactor'
 macro wt_percent_K_MAC(result) { prm = ( ( Get(scale) * ( 1.660538921 * (Get(cell_mass)/​Get(cell_volume)) ) * (Get(cell_volume))^2) * MAC_Sample ) / KFactor ;: result } macro wt_percent_K_MAC(result) { prm = ( ( Get(scale) * ( 1.660538921 * (Get(cell_mass)/​Get(cell_volume)) ) * (Get(cell_volume))^2) * MAC_Sample ) / KFactor ;: result }
  
-'Dummy phases are used for energy dependent oxide MAC calculation+'Dummy phases are used for energy dependent oxide MAC calculation'
 macro d_str { dummy_str space_group P1 scale 0 a 1 b 1 c 1 site } macro d_str { dummy_str space_group P1 scale 0 a 1 b 1 c 1 site }
 d_str Si occ Si+4 = 1; site O  occ O-2  = 2; prm MAC_SiO2 ​   = Get(phase_MAC);​ :  35.81264 d_str Si occ Si+4 = 1; site O  occ O-2  = 2; prm MAC_SiO2 ​   = Get(phase_MAC);​ :  35.81264
Line 76: Line 76:
 d_str Zr occ Zr+4 = 1; site Si occ Si+4 = 1; site O occ O-2  = 4; prm MAC_ZrSiO4 = Get(phase_MAC);​ :  83.19554 d_str Zr occ Zr+4 = 1; site Si occ Si+4 = 1; site O occ O-2  = 4; prm MAC_ZrSiO4 = Get(phase_MAC);​ :  83.19554
  
-'​----------------------------------------------------------------------------- +'​-----------------------------------------------------------------------------' 
-' Part for phase quantification in sample using external standard starts here +' Part for phase quantification in sample using external standard starts here' 
-'​-----------------------------------------------------------------------------+'​-----------------------------------------------------------------------------'
  
-xdd "​Sample_Pattern.xy"​ 'XRD Pattern of sample+xdd "​Sample_Pattern.xy"​ 'XRD Pattern of sample'
 rebin_with_dx_of 0.02 rebin_with_dx_of 0.02
  
Line 88: Line 88:
 Specimen_Displacement(@,​ 0) Specimen_Displacement(@,​ 0)
  
-'XRF wt.-% data of sample (change prm_with_error to prm for version 5)+'XRF wt.-% data of sample (change prm_with_error to prm for version 5)'
 prm_with_error !SiO2     0_0 prm_with_error !SiO2     0_0
 prm_with_error !Al2O3 ​   0_0 prm_with_error !Al2O3 ​   0_0
Line 104: Line 104:
 prm_with_error !ZrSiO4 ​  0_0 prm_with_error !ZrSiO4 ​  0_0
 prm_with_error !LaB6     0_0 prm_with_error !LaB6     0_0
-prm_with_error !LOI_CO2 ​ 0_0 'Loss on ignition +prm_with_error !LOI_CO2 ​ 0_0 'Loss on ignition' 
-prm_with_error !LOI_H2O ​ 0_0 'Loss on ignition+prm_with_error !LOI_H2O ​ 0_0 'Loss on ignition'
  
-'MAC calculation from XRF data+'MAC calculation from XRF data'
 prm !MAC_Sample =  prm !MAC_Sample = 
 SiO2*0.01*MAC_SiO2 + Al2O3*0.01*MAC_Al2O3 +  SiO2*0.01*MAC_SiO2 + Al2O3*0.01*MAC_Al2O3 + 
Line 135: Line 135:
  ​ Strain_L  ​ Strain_L
  ​ scale  ​ scale
- ​ wt_percent_K_MAC( 0) 'This macro reports phase amounts using the K-factor method+ ​ wt_percent_K_MAC( 0) 'This macro reports phase amounts using the K-factor method'
  
     
-for xdds { '​Instrument description for both XDD's+for xdds { '​Instrument description for both XDDs'
  lam ymin_on_ymax 0.0001  lam ymin_on_ymax 0.0001
  Lam_recs  Lam_recs

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