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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R070092
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.021
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   26.6791 3.341170  -2  0  2    2   26.6687  3.342456   -0.0104 -0.001286
   29.2144 3.056516   0  0  4    2   29.2114  3.056828   -0.0030 -0.000312
   29.8260 2.995173  -1  0  4    2   29.8193  2.995828   -0.0067 -0.000655
   30.1067 2.967864  -2  1  2    2   30.0993  2.968582   -0.0074 -0.000717
   30.7425 2.907875  -1  2  1    2   30.7397  2.908134   -0.0028 -0.000259
   31.7215 2.820269   1  2  1    2   31.7269  2.819801    0.0054  0.000469
   32.3967 2.762977   0  1  4    2   32.3957  2.763059   -0.0010 -0.000082
   33.7075 2.658401   1  0  4    2   33.7095  2.658246    0.0020  0.000155
   36.3940 2.467977  -1  2  3    2   36.3995  2.467618    0.0055  0.000359
   37.6246 2.389990   3  0  0    2   37.6233  2.390069   -0.0013 -0.000078
   38.0945 2.361567  -3  0  2    2   38.0869  2.362020   -0.0076 -0.000454
   38.6570 2.328469   2  1  3    2   38.6676  2.327852    0.0106  0.000617
   39.7299 2.267993  -3  1  1    2   39.7316  2.267897    0.0017  0.000096
   40.2178 2.241583   3  1  0    2   40.2184  2.241549    0.0006  0.000033
   42.0712 2.146969   3  1  1    2   42.0766  2.146704    0.0054  0.000264
   52.9848 1.727419   4  1  0    2   52.9895  1.727277    0.0047  0.000142
   55.7415 1.648309   4  0  2    2   55.7415  1.648309    0.0000  0.000000
   58.2234 1.583790  -4  2  1    2   58.2278  1.583680    0.0044  0.000110
   59.0351 1.563927   3  3  1    2   59.0251  1.564168   -0.0100 -0.000241
   60.1978 1.536460   0  2  7    2   60.1983  1.536448    0.0005  0.000012
   63.1039 1.472490   2  4  0    2   63.1081  1.472403    0.0042  0.000087
   73.8316 1.282747   5  2  1    2   73.8240  1.282860   -0.0076 -0.000114
   79.0128 1.211091  -6  0  2    2   79.0165  1.211043    0.0037  0.000048

 rmse = 0.00006179703
 
     A =7.2697(2)              B =6.4595(4)               C =12.397(1)           
 Alpha =90                  Beta =99.492(8)           Gamma =90                  
 
 Volume = 574.18(5)