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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 Pyrite__R080030__Powder__Xray_Data_XY_Processed__9568[3]
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  0.710710
 Wavelength #2 =  0.709270
 Wavelength #3 =  0.713590
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.033
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.9956 3.141662   1  1  1    2   12.9994  3.140749    0.0038  0.000914
   15.0319 2.717112   2  0  0    2   15.0161  2.719968   -0.0158 -0.002856
   16.8091 2.431020   2  1  0    2   16.7966  2.432813   -0.0125 -0.001793
   18.4020 2.221794   2  1  1    2   18.4099  2.220845    0.0079  0.000949
   21.2843 1.923248   2  2  0    2   21.2836  1.923308   -0.0007 -0.000059
   25.0075 1.640122   3  1  1    2   25.0063  1.640202   -0.0012 -0.000080
   26.1246 1.571043   2  2  2    2   26.1359  1.570374    0.0113  0.000669
   27.2052 1.509672   3  0  2    2   27.2218  1.508767    0.0166  0.000905
   28.2851 1.453075   3  2  1    2   28.2691  1.453884   -0.0160 -0.000809
   33.0314 1.248696   3  3  1    2   33.0501  1.248007    0.0187  0.000689
   33.9533 1.215716   4  2  0    2   33.9334  1.216407   -0.0199 -0.000691

 rmse = 0.00044096785
 
     A =5.4399(9)              B =5.4399(9)               C =5.4399(9)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 160.98(8)