******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R070016
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.032
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.4078 7.146244   0  0  1    2   12.4062  7.147153   -0.0016 -0.000909
   13.9087 6.376491   0  1  1    2   13.9070  6.377282   -0.0017 -0.000790
   17.6749 5.022874   0  2  1    2   17.6721  5.023672   -0.0028 -0.000798
   21.9930 4.044027  -2  2  1    2   21.9930  4.044027    0.0000  0.000000
   22.6310 3.931280   0  3  1    2   22.6273  3.931914   -0.0037 -0.000634
   22.8267 3.897969   2  1  0    2   22.8267  3.897969    0.0000  0.000000
   25.7338 3.463283   0  1  2    2   25.7252  3.464427   -0.0086 -0.001145
   28.1903 3.166481   0  4  1    2   28.1949  3.165979    0.0046  0.000502
   31.4305 2.846707   0  3  2    2   31.4322  2.846559    0.0017  0.000147
   34.1273 2.627459   0  5  1    2   34.1297  2.627278    0.0024  0.000181
   35.7436 2.512157   0  4  2    2   35.7483  2.511836    0.0047  0.000321
   51.7643 1.765609   0  8  0    2   51.7623  1.765673   -0.0020 -0.000063

 rmse = 0.00003046475
 
     A =9.865(4)               B =14.1254(6)              C =8.693(4)            
 Alpha =90                  Beta =124.70(4)           Gamma =90                  
 
 Volume = 996.0(4)