******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050535
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.071
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.6614 6.510225   1  1  0    2   13.6698  6.506208    0.0084  0.004017
   14.7732 6.020310   0  1  1    2   14.7717  6.020904   -0.0015 -0.000593
   20.5463 4.334012   2  1  1    2   20.5379  4.335766   -0.0084 -0.001754
   24.1757 3.689029   3  1  0    2   24.1824  3.688023    0.0067  0.001006
   26.2344 3.403231   1  2  1    2   26.2299  3.403811   -0.0045 -0.000580
   31.8135 2.816646  -4  1  1    2   31.8150  2.816515    0.0015  0.000131
   32.5953 2.750704  -2  1  3    2   32.5928  2.750909   -0.0025 -0.000206
   33.9690 2.642307   4  0  2    2   33.9695  2.642271    0.0005  0.000036
   40.8067 2.213171   1  3  2    2   40.8078  2.213115    0.0011  0.000056
   52.3593 1.748139  -4  2  4    2   52.3604  1.748104    0.0011  0.000035
   66.3914 1.408243  -8  2  2    2   66.3906  1.408258   -0.0008 -0.000014
   71.4011 1.321137   8  0  4    2   71.4012  1.321136    0.0001  0.000001

 rmse = 0.00002769172
 
     A =    12.6647(4)         B =     7.5839(6)          C =     9.9041(8)      
 Alpha =    90.             Beta =    91.186(3)       Gamma =    90.             
 
 Volume =    951.07(7)