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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060579
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.069
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.1521 7.976651   1  1  0    2   11.1563  7.973649    0.0042  0.003002
   13.7397 6.472081   0  2  0    2   13.7444  6.469890    0.0047  0.002190
   16.3104 5.452997   1  2  0    2   16.3141  5.451755    0.0037  0.001242
   17.5709 5.063003   2  0  0    2   17.5740  5.062118    0.0031  0.000884
   18.8799 4.713528   2  1  0    2   18.8771  4.714219   -0.0028 -0.000690
   20.3813 4.368385   0  1  1    2   20.3776  4.369174   -0.0037 -0.000789
   20.6648 4.308889  -1  1  1    2   20.6666  4.308516    0.0018  0.000374
   22.3435 3.987802   2  2  0    2   22.3490  3.986825    0.0055  0.000977
   23.8816 3.733588  -1  2  1    2   23.8899  3.732310    0.0083  0.001278
   24.3976 3.655556  -2  1  1    2   24.4033  3.654719    0.0057  0.000837
   26.5341 3.365093   1  2  1    2   26.5370  3.364731    0.0029  0.000362
   27.2121 3.282557  -2  2  1    2   27.2089  3.282938   -0.0032 -0.000381
   28.2900 3.159581   0  3  1    2   28.2889  3.159700   -0.0011 -0.000119
   29.0180 3.081759   1  4  0    2   29.0208  3.081465    0.0028  0.000294
   29.9129 2.991355   3  2  0    2   29.9047  2.992159   -0.0082 -0.000805
   30.7897 2.907947   1  3  1    2   30.7808  2.908772   -0.0089 -0.000825
   31.3719 2.855177  -2  3  1    2   31.3689  2.855440   -0.0030 -0.000263
   31.7908 2.818422   2  2  1    2   31.7880  2.818667   -0.0028 -0.000246
   32.7362 2.738982  -3  2  1    2   32.7358  2.739016   -0.0004 -0.000034
   37.7100 2.387700  -4  1  1    2   37.7094  2.387738   -0.0006 -0.000038
   38.5360 2.338308   3  2  1    2   38.5388  2.338145    0.0028  0.000162
   44.0014 2.059250   1  2  2    2   44.0028  2.059188    0.0014  0.000062
   45.5293 1.993528   4  4  0    2   45.5321  1.993412    0.0028  0.000116
   47.5219 1.914360  -5  2  1    2   47.5202  1.914424   -0.0017 -0.000063
   48.8287 1.866065  -2  4  2    2   48.8262  1.866155   -0.0025 -0.000090
   49.9288 1.827439  -4  2  2    2   49.9311  1.827360    0.0023  0.000079
   56.8023 1.621263   3  7  0    2   56.8027  1.621253    0.0004  0.000010

 rmse = 0.00002940944
 
     A =    10.3210(5)         B =    12.9397(6)          C =     4.7320(2)      
 Alpha =    90.             Beta =   101.206(4)       Gamma =    90.             
 
 Volume =    619.91(3)