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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050173
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.010
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.8004 9.026658   0  2  0    2    9.7999  9.027082   -0.0005 -0.000425
   10.5045 8.422570   1  1  0    2   10.5118  8.416713    0.0073  0.005857
   18.6465 4.757208   2  0  0    2   18.6477  4.756907    0.0012  0.000301
   19.6638 4.513206   0  4  0    2   19.6623  4.513541   -0.0015 -0.000335
   21.0993 4.209134   2  2  0    2   21.1032  4.208356    0.0039  0.000777
   26.3703 3.378216   1  3  1    2   26.3690  3.378382   -0.0013 -0.000166
   27.2266 3.273842   2  4  0    2   27.2235  3.274212   -0.0031 -0.000369
   28.5616 3.123728   3  1  0    2   28.5642  3.123452    0.0026  0.000277
   31.8823 2.805444   3  3  0    2   31.8808  2.805571   -0.0015 -0.000127
   32.7655 2.731789  -3  3  1    2   32.7674  2.731637    0.0019  0.000152
   33.1044 2.704585   1  5  1    2   33.1035  2.704653   -0.0009 -0.000068
   37.7339 2.382635   3  5  0    2   37.7318  2.382764   -0.0021 -0.000130
   38.4969 2.337136  -3  5  1    2   38.4997  2.336971    0.0028  0.000165
   41.7674 2.161336   2  6  1    2   41.7695  2.161229    0.0021  0.000106
   48.0502 1.892314   5  1  0    2   48.0511  1.892282    0.0009  0.000032
   50.2591 1.814185   5  3  0    2   50.2575  1.814240   -0.0016 -0.000055
   55.6988 1.649168   4  6  1    2   55.6973  1.649208   -0.0015 -0.000040
   56.1462 1.637080   4  8  0    2   56.1453  1.637106   -0.0009 -0.000025
   56.8905 1.617413   1 11  0    2   56.8912  1.617396    0.0007  0.000017
   58.1367 1.585668   6  0  0    2   58.1380  1.585636    0.0013  0.000033
   64.7946 1.437859  -6  6  1    2   64.7924  1.437903   -0.0022 -0.000044
   72.0637 1.309635  -7  5  1    2   72.0638  1.309633    0.0001  0.000002
   86.4143 1.125196   7  9  0    2   86.4153  1.125185    0.0010  0.000011

 rmse = 0.00001771806
 
     A =     9.8380(1)         B =    18.0541(4)          C =     5.2729(5)      
 Alpha =    90.             Beta =   104.750(3)       Gamma =    90.             
 
 Volume =    905.69(9)