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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060990
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.013
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.725210.141709   0  1  0    2    8.7251 10.141867   -0.0001 -0.000158
   15.2693 5.802925   1  0  0    2   15.2684  5.803263   -0.0009 -0.000338
   15.8234 5.600773  -1  1  0    2   15.8262  5.599795    0.0028  0.000978
   17.3088 5.122957   0  1  1    2   17.3005  5.125384   -0.0083 -0.002427
   17.9882 4.930825  -1  1  1    2   17.9864  4.931302   -0.0018 -0.000477
   18.4646 4.804574   0 -1  1    2   18.4659  4.804227    0.0013  0.000347
   20.5364 4.323990  -1  2  0    2   20.5454  4.322106    0.0090  0.001884
   22.5919 3.934776   0  2  1    2   22.5945  3.934336    0.0026  0.000440
   24.3961 3.647553   0 -2  1    2   24.3897  3.648498   -0.0064 -0.000945
   25.7553 3.457957   1  2  0    2   25.7557  3.457905    0.0004  0.000052
   26.3461 3.381700   0  3  0    2   26.3546  3.380622    0.0085  0.001077
   28.0073 3.184684  -1  3  1    2   28.0061  3.184813   -0.0012 -0.000129
   28.3241 3.149763  -1 -2  1    2   28.3180  3.150427   -0.0061 -0.000664
   29.4612 3.030674   1 -2  1    2   29.4618  3.030609    0.0006  0.000065
   29.6967 3.007163   0  3  1    2   29.6970  3.007130    0.0003  0.000034
   30.3073 2.947928  -2  2  1    2   30.3045  2.948195   -0.0028 -0.000268
   33.4889 2.674664   1  3  0    2   33.4868  2.674826   -0.0021 -0.000162
   36.6147 2.453097  -2  0  2    2   36.6196  2.452778    0.0049  0.000320
   39.5510 2.277417  -2  3  2    2   39.5496  2.277497   -0.0014 -0.000080
   41.3647 2.181620   2  1  1    2   41.3654  2.181583    0.0007  0.000037
   46.3593 1.957472  -3  2  0    2   46.3588  1.957493   -0.0005 -0.000021

 rmse = 0.00002979063
 
     A =6.3312(4)              B =10.5311(9)              C =6.0624(7)           
 Alpha =80.952(7)           Beta =109.957(6)          Gamma =105.025(6)          
 
 Volume = 365.89(4)