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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050670
 
 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
   17.9340 4.964231  -1  1  1    2   17.9355  4.963815    0.0015  0.000416
   18.2560 4.877000   2  0  0    2   18.2621  4.875385    0.0061  0.001615
   19.3314 4.606907  -2  0  2    2   19.3332  4.606491    0.0018  0.000416
   19.7073 4.519511   1  1  1    2   19.7088  4.519175    0.0015  0.000336
   20.4593 4.354397  -1  1  2    2   20.4623  4.353767    0.0030  0.000630
   26.3843 3.385431   0  0  4    2   26.3846  3.385388    0.0003  0.000043
   27.6663 3.230938  -2  0  4    2   27.6682  3.230725    0.0019  0.000213
   28.4167 3.147057   1  1  3    2   28.4168  3.147043    0.0001  0.000014
   32.9467 2.722896  -3  1  3    2   32.9417  2.723299   -0.0050 -0.000403
   33.2161 2.701370   0  2  2    2   33.2153  2.701433   -0.0008 -0.000062
   33.7638 2.658686   3  1  1    2   33.7657  2.658544    0.0019  0.000142
   36.9244 2.437541   4  0  0    2   36.9220  2.437692   -0.0024 -0.000151
   39.1526 2.303508  -4  0  4    2   39.1572  2.303246    0.0046  0.000262
   39.9471 2.259413   2  2  2    2   39.9439  2.259588   -0.0032 -0.000175
   41.5325 2.176586  -2  2  4    2   41.5266  2.176883   -0.0059 -0.000298
   52.7235 1.737204   1  3  3    2   52.7271  1.737092    0.0036  0.000112
   53.3601 1.717938   4  2  2    2   53.3598  1.717946   -0.0003 -0.000007

 rmse = 0.00002983300
 
     A =    10.1466(6)         B =     5.8921(3)          C =    14.091(2)       
 Alpha =    90.             Beta =   106.057(6)       Gamma =    90.             
 
 Volume =    809.59(7)