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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050491
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.029
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    7.118112.357898   0  1  0    2    7.1198 12.355028    0.0017  0.002870
   11.0287 7.994760   1  0  0    2   11.0238  7.998300   -0.0049 -0.003540
   11.3620 7.761574  -1  1  0    2   11.3591  7.763558   -0.0029 -0.001984
   14.7266 5.998483   1  1  0    2   14.7219  6.000385   -0.0047 -0.001902
   15.1740 5.822951   0 -1  1    2   15.1650  5.826398   -0.0090 -0.003448
   15.5619 5.678940  -1  1  1    2   15.5680  5.676719    0.0061  0.002220
   16.4337 5.380118   0  1  1    2   16.4337  5.380108    0.0000  0.000011
   17.0375 5.191111  -1 -1  1    2   17.0412  5.190007    0.0037  0.001104
   19.1026 4.635181   0 -2  1    2   19.1071  4.634099    0.0045  0.001082
   19.3284 4.581619  -1  2  1    2   19.3283  4.581648   -0.0001 -0.000029
   21.6869 4.089062  -1 -2  1    2   21.6901  4.088464    0.0032  0.000598
   22.1774 3.999838   2  0  0    2   22.1813  3.999150    0.0039  0.000688
   23.3794 3.797100   1  1  1    2   23.3741  3.797950   -0.0053 -0.000850
   24.7016 3.597006  -1  3  1    2   24.7110  3.595654    0.0094  0.001352
   27.6456 3.220684  -1  1  2    2   27.6411  3.221195   -0.0045 -0.000511
   28.4193 3.134827   0  0  2    2   28.4261  3.134097    0.0068  0.000730
   30.2728 2.947165   2  0  1    2   30.2674  2.947681   -0.0054 -0.000516
   37.3899 2.401347  -3  4  1    2   37.3844  2.401688   -0.0055 -0.000342
   38.2751 2.347864  -2  5  1    2   38.2801  2.347570    0.0050  0.000294
   38.8096 2.316774   0 -4  2    2   38.8048  2.317050   -0.0048 -0.000276
   39.2705 2.290658  -2  4  2    2   39.2675  2.290824   -0.0030 -0.000166
   42.4622 2.125689  -4  0  1    2   42.4646  2.125575    0.0024  0.000114
   43.1997 2.091117   2 -3  2    2   43.2007  2.091069    0.0010  0.000048
   45.7428 1.980674   1 -5  2    2   45.7445  1.980604    0.0017  0.000070
   46.1421 1.964470   1  5  1    2   46.1396  1.964571   -0.0025 -0.000101
   49.1718 1.850355   1  4  2    2   49.1737  1.850289    0.0019  0.000066

 rmse = 0.00003347396
 
     A =     8.8058(6)         B =    12.8555(9)          C =     6.6648(7)      
 Alpha =    90.295(5)       Beta =   109.077(7)       Gamma =   105.035(7)       
 
 Volume =    685.29(6)