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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050114
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.041
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.9954 4.936475   0  1  1    2   18.0005  4.935079    0.0051  0.001396
   27.5331 3.241702  -2  1  1    2   27.5434  3.240515    0.0103  0.001186
   29.8386 2.995921   0  0  2    2   29.8378  2.995997   -0.0008 -0.000075
   31.4892 2.842337  -2  0  2    2   31.4858  2.842635   -0.0034 -0.000298
   34.3581 2.610996   0  3  1    2   34.3619  2.610713    0.0038  0.000283
   34.6104 2.592515   2  2  0    2   34.6152  2.592168    0.0048  0.000347
   37.8143 2.379655  -2  2  2    2   37.8132  2.379721   -0.0011 -0.000066
   38.0697 2.364259   2  1  1    2   38.0674  2.364394   -0.0023 -0.000135
   39.4554 2.284270   1  3  1    2   39.4533  2.284387   -0.0021 -0.000117
   39.7392 2.268592  -3  1  1    2   39.7397  2.268565    0.0005  0.000027
   40.4379 2.230951  -2  3  1    2   40.4347  2.231122   -0.0032 -0.000171
   42.9187 2.107441  -1  1  3    2   42.9165  2.107543   -0.0022 -0.000102
   43.4040 2.084973   1  2  2    2   43.4063  2.084868    0.0023  0.000105
   46.6554 1.946834   0  1  3    2   46.6587  1.946705    0.0033  0.000128
   49.1545 1.853456   2  0  2    2   49.1507  1.853590   -0.0038 -0.000135
   50.5958 1.803942   2  4  0    2   50.5973  1.803893    0.0015  0.000049
   52.4079 1.745702  -4  0  2    2   52.4035  1.745838   -0.0044 -0.000136
   53.0044 1.727438  -2  4  2    2   53.0005  1.727557   -0.0039 -0.000119
   53.7495 1.705218   2  2  2    2   53.7475  1.705278   -0.0020 -0.000060
   55.8867 1.644916   0  3  3    2   55.8826  1.645026   -0.0041 -0.000110
   57.0596 1.613833   4  0  0    2   57.0615  1.613784    0.0019  0.000050
   59.3221 1.557524  -2  5  1    2   59.3207  1.557557   -0.0014 -0.000033
   60.4916 1.530160  -2  2  4    2   60.4963  1.530051    0.0047  0.000108
   64.9482 1.435447   2  1  3    2   64.9503  1.435405    0.0021  0.000042
   69.8147 1.346750  -2  5  3    2   69.8163  1.346723    0.0016  0.000027
   74.3137 1.275909   4  3  1    2   74.3191  1.275830    0.0054  0.000079
   77.7115 1.228360   4  0  2    2   77.7073  1.228415   -0.0042 -0.000056
   80.9062 1.187695   2  0  4    2   80.9076  1.187679    0.0014  0.000017
   88.1707 1.107569   0  3  5    2   88.1692  1.107584   -0.0015 -0.000015

 rmse = 0.00003936206
 
     A =     7.0581(2)         B =     8.7014(3)          C =     6.5517(2)      
 Alpha =    90.             Beta =   113.855(2)       Gamma =    90.             
 
 Volume =    368.00(1)