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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070237
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.005
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.9834 5.909734   0  1  1    2   14.9850  5.909121    0.0016  0.000613
   18.3155 4.841127   0  2  0    2   18.3165  4.840858    0.0010  0.000270
   21.8651 4.062403   0  2  1    2   21.8741  4.060759    0.0090  0.001643
   23.8443 3.729425   0  0  2    2   23.8416  3.729842   -0.0027 -0.000417
   25.5794 3.480200   0  1  2    2   25.5772  3.480495   -0.0022 -0.000295
   28.9754 3.079503  -1  0  2    2   28.9734  3.079714   -0.0020 -0.000212
   29.1827 3.058093   1  1  0    2   29.1827  3.058097    0.0000 -0.000003
   30.4358 2.934960  -1  1  2    2   30.4374  2.934812    0.0016  0.000148
   33.3746 2.682895   1  2  0    2   33.3753  2.682842    0.0007  0.000053
   34.4924 2.598453  -1  2  2    2   34.4926  2.598438    0.0002  0.000015
   39.0545 2.304742   1  2  1    2   39.0546  2.304737    0.0001  0.000005
   40.7643 2.211921   0  2  3    2   40.7660  2.211830    0.0017  0.000091
   45.6598 1.985475  -1  4  1    2   45.6502  1.985872   -0.0096 -0.000397
   46.9028 1.935707   1  4  0    2   46.9094  1.935449    0.0066  0.000258
   47.7575 1.903036  -1  4  2    2   47.7576  1.903031    0.0001  0.000005
   48.5408 1.874139   0  5  1    2   48.5383  1.874231   -0.0025 -0.000092
   55.2859 1.660363   1  1  3    2   55.2850  1.660388   -0.0009 -0.000025
   57.0295 1.613667   0  6  0    2   57.0313  1.613619    0.0018  0.000048
   63.3308 1.467420  -2  2  4    2   63.3315  1.467406    0.0007  0.000014

 rmse = 0.00003687811
 
     A =3.4798(2)              B =9.6817(3)               C =8.0537(6)           
 Alpha =90                  Beta =112.144(4)          Gamma =90                  
 
 Volume = 251.32(2)