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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050138
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.005
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.5255 7.668356   0  0  1    2   11.5187  7.672841   -0.0068 -0.004485
   13.0768 6.762257   0  1  0    2   13.0707  6.765400   -0.0061 -0.003143
   14.9653 5.913155   1  0  0    2   14.9608  5.914930   -0.0045 -0.001776
   17.6423 5.021710  -1  0  1    2   17.6401  5.022317   -0.0022 -0.000607
   18.2283 4.861613   0  1  1    2   18.2296  4.861278    0.0013  0.000335
   20.1180 4.409124   1  0  1    2   20.1283  4.406890    0.0103  0.002233
   23.1644 3.835816   0  0  2    2   23.1607  3.836420   -0.0037 -0.000604
   25.9022 3.436324  -1  0  2    2   25.9012  3.436451   -0.0010 -0.000126
   26.3179 3.382991   0  2  0    2   26.3202  3.382700    0.0023  0.000291
   27.8145 3.204301   0 -2  1    2   27.8175  3.203959    0.0030  0.000342
   30.1181 2.964294  -1 -1  2    2   30.1130  2.964786   -0.0051 -0.000491
   30.8740 2.893430  -2  0  1    2   30.8771  2.893150    0.0031  0.000280
   33.6701 2.659299   0 -2  2    2   33.6706  2.659258    0.0005  0.000040
   39.4951 2.279517   2 -1  2    2   39.4951  2.279519    0.0000 -0.000002
   45.9158 1.974616  -3  0  1    2   45.9149  1.974653   -0.0009 -0.000037
   47.3496 1.918118   0  0  4    2   47.3472  1.918210   -0.0024 -0.000092
   47.7936 1.901332  -1  0  4    2   47.7976  1.901182    0.0040  0.000150
   50.1479 1.817455   2  0  3    2   50.1479  1.817456    0.0000 -0.000001
   51.7769 1.764044  -1  4  0    2   51.7763  1.764061   -0.0006 -0.000018
   53.8881 1.699815  -2  1  4    2   53.8876  1.699829   -0.0005 -0.000014

 rmse = 0.00002648776
 
     A =     6.2096(4)         B =     7.0669(3)          C =     7.7548(2)      
 Alpha =    93.147(7)       Beta =    96.538(3)       Gamma =   105.99(1)        
 
 Volume =    323.66(2)