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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050638
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.051
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.1913 5.169005   0  0  2    2   17.1942  5.168126    0.0029  0.000879
   17.4597 5.089910   0  1  1    2   17.4617  5.089329    0.0020  0.000581
   17.7562 5.005334   1  0  0    2   17.7561  5.005373   -0.0001 -0.000039
   23.4223 3.803086   1  1  0    2   23.4262  3.802464    0.0039  0.000622
   24.2475 3.675220  -1  0  2    2   24.2504  3.674785    0.0029  0.000435
   25.2430 3.532198   1  1  1    2   25.2465  3.531709    0.0035  0.000489
   28.7211 3.111105  -1  1  2    2   28.7187  3.111356   -0.0024 -0.000251
   30.5999 2.923912   0  2  0    2   30.6031  2.923617    0.0032  0.000295
   31.8344 2.813103   0  2  1    2   31.8327  2.813246   -0.0017 -0.000143
   34.5809 2.595376  -1  1  3    2   34.5800  2.595444   -0.0009 -0.000068
   35.2929 2.544554   0  2  2    2   35.2913  2.544665   -0.0016 -0.000110
   38.5378 2.337153  -1  0  4    2   38.5373  2.337181   -0.0005 -0.000028
   39.4022 2.287782  -1  2  2    2   39.4005  2.287877   -0.0017 -0.000095
   39.8204 2.264683  -2  1  1    2   39.8188  2.264771   -0.0016 -0.000088
   40.5160 2.227343   2  1  1    2   40.5157  2.227359   -0.0003 -0.000017
   41.6295 2.170230  -1  1  4    2   41.6294  2.170237   -0.0001 -0.000007
   42.9611 2.105915   1  1  4    2   42.9652  2.105725    0.0041  0.000189
   47.8549 1.901122   2  2  0    2   47.8520  1.901232   -0.0029 -0.000110
   49.9678 1.825487  -1  2  4    2   49.9659  1.825553   -0.0019 -0.000066
   54.0608 1.696408   0  3  3    2   54.0596  1.696443   -0.0012 -0.000035
   58.8857 1.568268   3  0  2    2   58.8842  1.568304   -0.0015 -0.000036
   60.6440 1.526899  -2  3  1    2   60.6460  1.526854    0.0020  0.000045
   61.1598 1.515241   2  3  1    2   61.1601  1.515234    0.0003  0.000007
   62.8763 1.477907  -3  1  3    2   62.8781  1.477868    0.0018  0.000039
   63.6480 1.461820   0  4  0    2   63.6486  1.461809    0.0006  0.000012
   65.8497 1.418137   0  3  5    2   65.8493  1.418144   -0.0004 -0.000007

 rmse = 0.00001944160
 
     A =     5.00994(8)        B =     5.84723(8)         C =    10.3456(3)      
 Alpha =    90.             Beta =    92.447(2)       Gamma =    90.             
 
 Volume =    302.793(8)