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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060078
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.081
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.5117 5.083492   1  0  0    2   17.5214  5.080692    0.0097  0.002800
   61.4184 1.510138   1  1  3    2   61.4254  1.509981    0.0070  0.000156
   24.1208 3.698798   0  1  1    2   24.1271  3.697839    0.0063  0.000959
   24.5192 3.639394   1  1  0    2   24.5254  3.638479    0.0062  0.000915
   58.3381 1.582430  -2  2  2    2   58.3440  1.582283    0.0059  0.000147
   40.8008 2.213984  -2  1  1    2   40.8059  2.213720    0.0051  0.000264
   28.2526 3.164997  -1  1  1    2   28.2565  3.164566    0.0039  0.000431
   57.2404 1.610183  -3  1  1    2   57.2437  1.610098    0.0033  0.000085
   50.6279 1.804194  -1  2  2    2   50.6301  1.804119    0.0022  0.000074
   51.2617 1.783330  -2  2  1    2   51.2627  1.783296    0.0010  0.000034
   44.8957 2.020731   1  1  2    2   44.8963  2.020703    0.0006  0.000028
   57.9300 1.592618  -1  3  1    2   57.9285  1.592655   -0.0015 -0.000037
   45.6006 1.991064  -2  0  2    2   45.5989  1.991134   -0.0017 -0.000070
   50.1834 1.819153   2  2  0    2   50.1809  1.819239   -0.0025 -0.000086
   31.5456 2.840862   1  1  1    2   31.5428  2.841110   -0.0028 -0.000248
   62.9100 1.477826   3  1  1    2   62.9063  1.477904   -0.0037 -0.000078
   62.0548 1.496149  -2  1  3    2   62.0495  1.496264   -0.0053 -0.000114
   35.3890 2.539931   2  0  0    2   35.3830  2.540346   -0.0060 -0.000415
   49.3298 1.848667   0  2  2    2   49.3226  1.848920   -0.0072 -0.000252
   34.2441 2.622386   0  0  2    2   34.2346  2.623098   -0.0095 -0.000711

 rmse = 0.00005481941
 
     A =5.1471(3)              B =5.2130(3)               C =5.3148(3)           
 Alpha =90                  Beta =99.215(4)           Gamma =90                  
 
 Volume = 140.766(9)