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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050011
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.068
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.1117 4.426242   1  1  0    2   20.1158  4.425337    0.0041  0.000904
   24.8395 3.591143   1  1  1    2   24.8396  3.591128    0.0001  0.000015
   25.5267 3.495746   0  2  1    2   25.5328  3.494922    0.0061  0.000824
   29.0957 3.073548   0  0  2    2   29.1040  3.072687    0.0083  0.000861
   30.9974 2.888769   0  1  2    2   30.9884  2.889592   -0.0090 -0.000823
   34.6453 2.591899   2  0  0    2   34.6461  2.591844    0.0008  0.000055
   35.6096 2.523756   1  1  2    2   35.6070  2.523937   -0.0026 -0.000181
   40.8124 2.212692   2  2  0    2   40.8129  2.212669    0.0005  0.000023
   42.5755 2.124906   0  4  0    2   42.5847  2.124470    0.0092  0.000436
   43.5075 2.081452   2  2  1    2   43.4991  2.081836   -0.0084 -0.000384
   45.1783 2.008165   0  4  1    2   45.1852  2.007874    0.0069  0.000290
   47.0596 1.932059   1  3  2    2   47.0475  1.932529   -0.0121 -0.000470
   49.0226 1.859079   1  1  3    2   49.0260  1.858957    0.0034  0.000121
   50.8809 1.795364   2  2  2    2   50.8748  1.795564   -0.0061 -0.000200
   52.3713 1.747657   0  4  2    2   52.3776  1.747461    0.0063  0.000197
   56.3807 1.632362   3  1  1    2   56.3787  1.632416   -0.0020 -0.000054
   58.1333 1.587194   2  4  1    2   58.1293  1.587293   -0.0040 -0.000099
   59.1711 1.561776   1  5  1    2   59.1638  1.561951   -0.0073 -0.000175
   61.7158 1.503272   2  2  3    2   61.7198  1.503183    0.0040  0.000089
   65.9580 1.416386   0  6  0    2   65.9618  1.416313    0.0038  0.000072
   70.8566 1.329901   3  3  2    2   70.8621  1.329810    0.0055  0.000090
   73.9382 1.281854   2  4  3    2   73.9488  1.281696    0.0106  0.000158
   74.8751 1.268105   1  5  3    2   74.8656  1.268242   -0.0095 -0.000138
   78.7505 1.215070   4  2  1    2   78.7498  1.215079   -0.0007 -0.000009
   87.6470 1.113103   1  5  4    2   87.6450  1.113123   -0.0020 -0.000020

 rmse = 0.00007514490
 
     A =     5.1836(2)         B =     8.4978(4)          C =     6.1453(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    270.70(2)