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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040022
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.013
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.5638 6.529232   2  2  0    2   13.5670  6.527707    0.0032  0.001525
   15.0823 5.874521   1  1  1    2   15.0764  5.876818   -0.0059 -0.002297
   19.0418 4.660120   0  4  0    2   19.0471  4.658844    0.0053  0.001276
   19.3992 4.575004   4  0  0    2   19.4039  4.573900    0.0047  0.001104
   20.2499 4.384560   1  3  1    2   20.2447  4.385678   -0.0052 -0.001118
   20.4091 4.350694   3  1  1    2   20.4138  4.349701    0.0047  0.000992
   21.4022 4.150878   2  4  0    2   21.3991  4.151463   -0.0031 -0.000585
   21.6322 4.107234   4  2  0    2   21.6394  4.105883    0.0072  0.001351
   27.3191 3.263369   4  4  0    2   27.3150  3.263853   -0.0041 -0.000485
   27.9326 3.193037   1  5  1    2   27.9298  3.193348   -0.0028 -0.000311
   28.3072 3.151608   5  1  1    2   28.3038  3.151983   -0.0034 -0.000375
   30.4095 2.938250   2  2  2    2   30.4078  2.938409   -0.0017 -0.000159
   36.7273 2.445833   1  7  1    2   36.7281  2.445781    0.0008  0.000052
   37.3125 2.408793   7  1  1    2   37.3134  2.408736    0.0009  0.000057
   41.1409 2.192975   2  6  2    2   41.1436  2.192839    0.0027  0.000136
   49.9144 1.826024   2 10  0    2   49.9141  1.826033   -0.0003 -0.000009
   53.7992 1.702940  10  4  0    2   53.7988  1.702953   -0.0004 -0.000013

 rmse = 0.00002324728
 
     A =    18.2955(6)         B =    18.6353(6)          C =     6.5813(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   2243.8(2)