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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040008
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.048
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.5648 7.677022   2  0  0    2   11.5708  7.673013    0.0060  0.004009
   16.3077 5.446801  -2  0  1    2   16.3102  5.445954    0.0025  0.000847
   23.2124 3.836528   4  0  0    2   23.2125  3.836507    0.0001  0.000022
   26.9053 3.316799  -2  0  2    2   26.9016  3.317248   -0.0037 -0.000448
   28.9268 3.089059   2  0  2    2   28.9269  3.089046    0.0001  0.000013
   30.0445 2.976454   3  2  0    2   30.0495  2.975971    0.0050  0.000483
   32.9136 2.722875  -4  0  2    2   32.9123  2.722977   -0.0013 -0.000102
   35.1056 2.557484   6  0  0    2   35.1030  2.557671   -0.0026 -0.000187
   39.1226 2.303318  -2  0  3    2   39.1190  2.303522   -0.0036 -0.000204
   41.6695 2.168070  -6  0  2    2   41.6788  2.167606    0.0093  0.000464
   44.8088 2.023031  -5  2  2    2   44.8050  2.023193   -0.0038 -0.000162
   45.7869 1.982019   6  0  2    2   45.7911  1.981846    0.0042  0.000172
   47.4037 1.918051   8  0  0    2   47.3984  1.918253   -0.0053 -0.000202
   59.5826 1.551483  -3  2  4    2   59.5823  1.551491   -0.0003 -0.000008
   78.8737 1.213222  -9  2  4    2   78.8742  1.213216    0.0005  0.000006

 rmse = 0.00004180361
 
     A =    15.4141(8)         B =     7.317(1)           C =     7.0649(5)      
 Alpha =    90.             Beta =    95.389(5)       Gamma =    90.             
 
 Volume =    793.3(1)