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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040144
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.022
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.738810.135511   0  0  1    2    8.7500 10.122499    0.0112  0.013012
   17.5273 5.061903   0  0  2    2   17.5296  5.061249    0.0023  0.000653
   19.5267 4.547300   1  1  0    2   19.5255  4.547585   -0.0012 -0.000285
   22.6210 3.931195   1  1  1    2   22.6136  3.932474   -0.0074 -0.001279
   24.2632 3.668473  -1  1  2    2   24.2605  3.668870   -0.0027 -0.000397
   25.5883 3.481263   0  2  2    2   25.5802  3.482352   -0.0081 -0.001089
   26.4090 3.374821   0  0  3    2   26.4142  3.374166    0.0052  0.000655
   28.2862 3.154802   1  1  2    2   28.2890  3.154497    0.0028  0.000305
   30.5113 2.929447  -1  1  3    2   30.5126  2.929325    0.0013  0.000121
   32.9237 2.719959   1  3  0    2   32.9281  2.719606    0.0044  0.000353
   44.7493 2.024463   0  0  5    2   44.7484  2.024500   -0.0009 -0.000037
   57.5946 1.599597   0  6  0    2   57.5944  1.599601   -0.0002 -0.000004

 rmse = 0.00003241872
 
     A =     5.241(1)          B =     9.5976(4)          C =    10.2742(7)      
 Alpha =    90.             Beta =    99.85(1)        Gamma =    90.             
 
 Volume =    509.21(9)