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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050416
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.033
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.1341 7.963596   0  2  0    2   11.1402  7.959209    0.0061  0.004387
   18.6573 4.760274   1  1  0    2   18.6586  4.759950    0.0013  0.000323
   20.2113 4.397042   0  2  1    2   20.2213  4.394883    0.0100  0.002159
   22.2433 3.999143  -1  1  1    2   22.2415  3.999471   -0.0018 -0.000328
   24.4981 3.635435   1  3  0    2   24.5053  3.634385    0.0072  0.001050
   27.3659 3.260165  -1  3  1    2   27.3663  3.260120    0.0004  0.000045
   28.1104 3.175388   0  4  1    2   28.1038  3.176125   -0.0066 -0.000737
   32.1926 2.781027   1  3  1    2   32.1932  2.780973    0.0006  0.000054
   34.0227 2.635358   0  0  2    2   34.0184  2.635682   -0.0043 -0.000325
   35.0923 2.557369  -1  1  2    2   35.0888  2.557618   -0.0035 -0.000249
   35.6013 2.521930  -1  5  1    2   35.6013  2.521926    0.0000  0.000003
   38.6668 2.328582  -1  3  2    2   38.6689  2.328458    0.0021  0.000123
   41.0756 2.197307   0  4  2    2   41.0730  2.197441   -0.0026 -0.000134
   43.7432 2.069191   1  7  0    2   43.7435  2.069179    0.0003  0.000013
   50.2031 1.816853   2  6  0    2   50.1931  1.817193   -0.0100 -0.000339
   51.2716 1.781447  -1  1  3    2   51.2802  1.781167    0.0086  0.000280
   53.3860 1.715725   0  2  3    2   53.3832  1.715807   -0.0028 -0.000082
   55.5519 1.653809   3  1  0    2   55.5548  1.653729    0.0029  0.000080
   60.7559 1.523937   0 10  1    2   60.7586  1.523875    0.0027  0.000062
   61.7565 1.501612  -3  5  1    2   61.7598  1.501539    0.0033  0.000073
   70.6261 1.333105  -3  3  3    2   70.6230  1.333157   -0.0031 -0.000052

 rmse = 0.00004860492
 
     A =     5.1274(2)         B =    15.9184(8)          C =     5.4185(2)      
 Alpha =    90.             Beta =   103.384(5)       Gamma =    90.             
 
 Volume =    430.25(3)