NAC /nov12/11bmb_1804
# Run no. =               1804 
# No. steps =             54000 
# Scan time =             NOV 29, 2012 18:07:11.025644 
# Sample Comment =        NAC 
# User sample name =      1.5 mm diameter 
# Composition =           Na2Ca3Al2F14
# Temp (K) =              298.0 
# Start 2theta (deg) =    -16.0 
# End 2theta (deg) =      38.0 
# 2theta step (deg) =     0.001 
# Time per step (sec) =   0.1 
# Intensity scale =       9383.82768362 
# Calibration file =      11bmb_1800_2thcorrected.calib 
# 2Theta correction subtracted 
# Calibrated wavelength = 0.413909



Best Fit Summary of 11-BM LaB6 Data Feb13/3706
# by Matthew Suchomel at APS/ANL, 2013


Using GSAS-II
**************************************

NAC Lattice
  names :           a           b           c       alpha        beta       gamma      Volume
  values:   10.251435   10.251435   10.251435     90.0000     90.0000     90.0000    1077.343

 Atoms:
   name      x         y         z      frac   Uiso     
------------------------------------------------------------------
    Ca1   Ca+2:
 values:   0.46717   0.00000   0.25000   1.000 0.01096
 sig   :   0.00004                             0.00006
    Al1   Al+3:
 values:   0.24945   0.24945   0.24945   1.000 0.00683
 sig   :   0.00006   0.00006   0.00006         0.00009
    Na1   Na+1:
 values:   0.08618   0.08618   0.08618   1.000 0.02256
 sig   :   0.00006   0.00006   0.00006         0.00033
     F1    F-1:
 values:   0.14091   0.30397   0.12005   1.000 0.00100
 sig   :   0.00007   0.00006   0.00008                
     F2    F-1:
 values:   0.36250   0.36315   0.18860   1.000 0.00100
 sig   :   0.00008   0.00006   0.00007                
     F3    F-1:
 values:   0.46114   0.46114   0.46114   1.000 0.00100
 sig   :   0.00005   0.00005   0.00005   


Size model:     isotropic equatorial:      1.3528, sig:  0.0056 LG mix coeff.:      1.0000

Mustrain model: isotropic equatorial:       127.4, sig:     2.0 LG mix coeff.:      1.0000

Instrument Parameters:
 names :         Lam    Polariz.        SH/L           U           V           W           X           Y        Zero
 value :    0.413909    0.990000    0.002204    1.790652   -0.463199    0.050575    0.000000    0.000000    0.000000
 sig   :                            0.000022    0.018199    0.005155    0.000375    

CaF2 impurity, weight fraction = 0.01667

Background function:  4 term Chebyschev

Final refinement wR = 9.65% on 50006 observations in this histogram