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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050001
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.083
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.1548 6.767387   0  0  2    2   13.1607  6.764342    0.0059  0.003045
   17.5254 5.080227   0  1  2    2   17.5272  5.079715    0.0018  0.000511
   22.4694 3.968174   1  1  0    2   22.4685  3.968334   -0.0009 -0.000160
   26.0838 3.424161   1  1  2    2   26.0943  3.422804    0.0105  0.001356
   26.4137 3.382002   0  0  4    2   26.4124  3.382171   -0.0013 -0.000169
   26.7231 3.343420   0  2  2    2   26.7224  3.343510   -0.0007 -0.000090
   27.6698 3.230795   1  0  3    2   27.6657  3.231267   -0.0041 -0.000472
   28.8971 3.095911   0  1  4    2   28.8951  3.096122   -0.0020 -0.000211
   32.8440 2.731378   1  0  4    2   32.8416  2.731572   -0.0024 -0.000194
   34.9087 2.574024   1  1  4    2   34.9077  2.574098   -0.0010 -0.000074
   35.3865 2.540273   0  2  4    2   35.3925  2.539858    0.0060  0.000416
   40.5563 2.226919   1  2  4    2   40.5535  2.227069   -0.0028 -0.000150
   41.7960 2.163555   0  1  6    2   41.7922  2.163744   -0.0038 -0.000189
   42.5019 2.129170   1  3  2    2   42.4984  2.129335   -0.0035 -0.000166
   44.7449 2.027307   1  0  6    2   44.7435  2.027367   -0.0014 -0.000061
   50.9503 1.793592   1  2  6    2   50.9541  1.793468    0.0038  0.000124
   59.4359 1.555813   1  1  8    2   59.4400  1.555716    0.0041  0.000097
   72.8474 1.298592   1  0 10    2   72.8456  1.298620   -0.0018 -0.000027

 rmse = 0.00003440629
 
     A =     4.6323(8)         B =     7.6924(7)          C =    13.5286(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    482.07(6)