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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050236
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.062
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.7840 6.952297   0  0  2    2   12.7910  6.948517    0.0070  0.003780
   14.6874 6.051521   0  1  1    2   14.6955  6.048191    0.0081  0.003330
   25.6851 3.473682   0  0  4    2   25.6808  3.474258   -0.0043 -0.000577
   26.5771 3.358813   0  2  0    2   26.5765  3.358887   -0.0006 -0.000074
   28.7642 3.107654  -1  1  4    2   28.7655  3.107515    0.0013  0.000139
   32.2578 2.777969  -3  1  3    2   32.2556  2.778153   -0.0022 -0.000184
   32.9739 2.719144   0  2  3    2   32.9724  2.719268   -0.0015 -0.000124
   33.5726 2.671920  -2  0  5    2   33.5710  2.672040   -0.0016 -0.000120
   33.8944 2.647238   2  0  4    2   33.8943  2.647244   -0.0001 -0.000006
   34.3067 2.616304  -4  0  1    2   34.3078  2.616223    0.0011  0.000081
   37.2113 2.418142  -3  2  1    2   37.2130  2.418035    0.0017  0.000106
   43.0851 2.100625  -4  0  5    2   43.0832  2.100712   -0.0019 -0.000086
   44.8585 2.021498  -3  1  6    2   44.8623  2.021336    0.0038  0.000162
   48.1321 1.891198  -4  2  4    2   48.1309  1.891242   -0.0012 -0.000044
   48.4515 1.879459   4  2  2    2   48.4513  1.879465   -0.0002 -0.000006
   64.0607 1.453602  -7  1  1    2   64.0608  1.453599    0.0001  0.000003

 rmse = 0.00002092150
 
     A =    10.4654(2)         B =     6.7177(4)          C =    14.1693(6)      
 Alpha =    90.             Beta =   101.250(3)       Gamma =    90.             
 
 Volume =    977.02(6)