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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040100
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.029
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.6216 7.023759   0  0  1    2   12.6305  7.018806    0.0089  0.004953
   19.1303 4.642562   1  1  0    2   19.1318  4.642189    0.0015  0.000373
   21.1048 4.211863  -1  1  1    2   21.1121  4.210424    0.0073  0.001438
   24.2491 3.671713  -2  0  2    2   24.2545  3.670914    0.0054  0.000799
   24.4012 3.649142   2  0  1    2   24.3976  3.649674   -0.0036 -0.000531
   25.3906 3.508979   0  0  2    2   25.3875  3.509403   -0.0031 -0.000424
   28.8275 3.097540  -3  1  1    2   28.8237  3.097939   -0.0038 -0.000398
   29.2261 3.056153  -1  1  2    2   29.2186  3.056918   -0.0075 -0.000765
   34.5227 2.598027   1  1  2    2   34.5267  2.597732    0.0040  0.000295
   34.9151 2.569697   0  2  0    2   34.9138  2.569787   -0.0013 -0.000090
   46.9653 1.934227  -4  2  1    2   46.9663  1.934188    0.0010  0.000039

 rmse = 0.00003628483
 
     A =    11.750(2)          B =     5.1395(5)          C =     7.625(1)       
 Alpha =    90.             Beta =   113.00(1)        Gamma =    90.             
 
 Volume =    423.90(7)