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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050041
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.070
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   32.9397 2.722546   5  0  2    2   32.9337  2.723031   -0.0060 -0.000484
   46.7452 1.944418   5  2  2    2   46.7393  1.944649   -0.0059 -0.000231
   44.7654 2.025840   8  0  0    2   44.7604  2.026055   -0.0050 -0.000215
   57.7080 1.597941   3  0  6    2   57.7042  1.598039   -0.0038 -0.000098
   37.4538 2.403517   1  2  2    2   37.4512  2.403681   -0.0026 -0.000164
   54.3463 1.688697   9  1  1    2   54.3439  1.688767   -0.0024 -0.000070
   67.4300 1.389006   0  4  0    2   67.4277  1.389047   -0.0023 -0.000041
   24.2559 3.676758   3  0  2    2   24.2540  3.677047   -0.0019 -0.000289
   46.1931 1.966400   7  1  2    2   46.1925  1.966423   -0.0006 -0.000023
   23.7280 3.757591   4  0  1    2   23.7288  3.757471    0.0008  0.000120
   65.3794 1.427566   1  2  6    2   65.3804  1.427547    0.0010  0.000019
   38.5056 2.340129   4  1  3    2   38.5077  2.340008    0.0021  0.000121
   38.7098 2.328231   2  2  2    2   38.7119  2.328106    0.0021  0.000124
   60.1937 1.537683  10  1  1    2   60.1963  1.537622    0.0026  0.000060
   42.6989 2.119138   1  2  3    2   42.7017  2.119003    0.0028  0.000135
   49.2783 1.850088   1  2  4    2   49.2812  1.849985    0.0029  0.000102
   69.7355 1.348568  10  2  2    2   69.7394  1.348502    0.0039  0.000066
   17.7221 5.020179   0  0  2    2   17.7274  5.018670    0.0053  0.001509
   32.2589 2.778557   0  2  0    2   32.2644  2.778094    0.0055  0.000463
   10.9704 8.109724   2  0  0    2   10.9778  8.104219    0.0074  0.005505
   31.2412 2.866914   0  1  3    2   31.2488  2.866233    0.0076  0.000681

 rmse = 0.00003850316
 
     A =    16.2084(5)         B =     5.5561(2)          C =    10.0373(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    903.93(4)