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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040085
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.038
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.0601 8.020929   1  0  0    2   11.0656  8.016961    0.0055  0.003968
   17.7109 5.014501  -1  0  2    2   17.7114  5.014363    0.0005  0.000138
   22.1976 4.008285   2  0  0    2   22.1965  4.008480   -0.0011 -0.000195
   22.3455 3.982042  -2  0  2    2   22.3447  3.982182   -0.0008 -0.000139
   23.7192 3.754065   1  1  1    2   23.7206  3.753840    0.0014  0.000225
   25.6073 3.480969  -2  1  1    2   25.6126  3.480259    0.0053  0.000710
   26.2301 3.399592   1  0  2    2   26.2332  3.399195    0.0031  0.000397
   27.8772 3.202081   2  0  1    2   27.8763  3.202181   -0.0009 -0.000100
   30.9157 2.893552  -1  1  3    2   30.9095  2.894115   -0.0062 -0.000563
   31.9398 2.802960   0  2  0    2   31.9360  2.803284   -0.0038 -0.000324
   32.1980 2.781043   2  1  1    2   32.2032  2.780608    0.0052  0.000435
   34.5964 2.593324  -3  1  1    2   34.5929  2.593579   -0.0035 -0.000255
   35.5367 2.526756   2  0  2    2   35.5345  2.526909   -0.0022 -0.000153
   36.7321 2.447136  -1  2  2    2   36.7362  2.446872    0.0041  0.000264
   37.9684 2.370167  -2  2  1    2   37.9675  2.370223   -0.0009 -0.000056
   58.0824 1.587733  -4  0  6    2   58.0829  1.587720    0.0005  0.000013

 rmse = 0.00002775364
 
     A =     8.8783(8)         B =     5.6065(4)          C =    10.1520(6)      
 Alpha =    90.             Beta =   115.448(5)       Gamma =    90.             
 
 Volume =    456.30(4)