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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040175
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.053
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.6492 4.767534   0  1  2    2   18.6525  4.766705    0.0033  0.000830
   19.8651 4.477596   1  0  0    2   19.8664  4.477299    0.0013  0.000297
   20.8916 4.259288   0  0  4    2   20.8873  4.260157   -0.0043 -0.000869
   28.6829 3.115408  -1  0  4    2   28.6843  3.115256    0.0014  0.000152
   29.2325 3.057967   1  0  4    2   29.2309  3.058129   -0.0016 -0.000163
   29.6115 3.019614  -1  1  3    2   29.6095  3.019818   -0.0020 -0.000205
   30.0086 2.980482   1  1  3    2   30.0087  2.980474    0.0001  0.000008
   30.5154 2.932040   0  1  5    2   30.5165  2.931940    0.0011  0.000101
   31.1295 2.875485   0  2  0    2   31.1299  2.875448    0.0004  0.000037
   32.8983 2.724559   0  2  2    2   32.8993  2.724480    0.0010  0.000079
   36.3768 2.471224  -1  1  5    2   36.3811  2.470939    0.0043  0.000286
   36.9394 2.434813   1  1  5    2   36.9350  2.435096   -0.0044 -0.000283
   37.6256 2.391907   1  2  1    2   37.6224  2.392102   -0.0032 -0.000195
   38.8100 2.321493   1  2  2    2   38.8127  2.321340    0.0027  0.000153
   40.6925 2.218194   1  2  3    2   40.6971  2.217951    0.0046  0.000243
   41.0893 2.197656   0  2  5    2   41.0878  2.197731   -0.0015 -0.000075
   43.2032 2.094763   1  2  4    2   43.2012  2.094855   -0.0020 -0.000093
   44.9212 2.018463  -1  1  7    2   44.9228  2.018395    0.0016  0.000067
   46.2408 1.963819   1  2  5    2   46.2460  1.963611    0.0052  0.000208
   46.6558 1.947293   2  1  3    2   46.6527  1.947416   -0.0031 -0.000124
   49.0428 1.857847   0  2  7    2   49.0398  1.857953   -0.0030 -0.000106
   50.2417 1.816241   0  3  3    2   50.2394  1.816320   -0.0023 -0.000079
   52.7784 1.734675  -2  2  2    2   52.7776  1.734699   -0.0008 -0.000024
   54.9595 1.670812   0  3  5    2   54.9598  1.670802    0.0003  0.000010
   56.7052 1.623399   2  2  4    2   56.7072  1.623348    0.0020  0.000052
   57.6990 1.597753  -2  1  7    2   57.6985  1.597766   -0.0005 -0.000013
   60.5511 1.529073   2  0  8    2   60.5515  1.529065    0.0004  0.000008

 rmse = 0.00002576454
 
     A =     4.4780(2)         B =     5.7508(1)          C =    17.0435(7)      
 Alpha =    90.             Beta =    91.061(2)       Gamma =    90.             
 
 Volume =    438.84(1)