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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050228
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.018
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.0520 9.781136   2  0  0    2    9.0464  9.787154   -0.0056 -0.006018
   18.1301 4.893860   4  0  0    2   18.1312  4.893577    0.0011  0.000283
   22.2950 3.987412   2  0  2    2   22.2925  3.987859   -0.0025 -0.000446
   25.9293 3.435784   1  1  0    2   25.9259  3.436226   -0.0034 -0.000442
   27.3226 3.263541   6  0  0    2   27.3325  3.262385    0.0099  0.001157
   27.9002 3.197232   1  1  1    2   27.8967  3.197627   -0.0035 -0.000395
   28.1700 3.167201  -6  0  2    2   28.1655  3.167693   -0.0045 -0.000493
   29.0457 3.073613   4  0  2    2   29.0503  3.073139    0.0046  0.000474
   29.2016 3.057547  -3  1  1    2   29.2054  3.057153    0.0038  0.000394
   32.1183 2.786073  -3  1  2    2   32.1144  2.786401   -0.0039 -0.000329
   32.4316 2.759855   1  1  2    2   32.4317  2.759844    0.0001  0.000011
   33.8776 2.645225  -5  1  1    2   33.8773  2.645246   -0.0003 -0.000021
   34.7495 2.580789  -2  0  4    2   34.7442  2.581170   -0.0053 -0.000381
   35.7764 2.508992  -5  1  2    2   35.7784  2.508854    0.0020  0.000139
   37.1578 2.418781  -3  1  3    2   37.1640  2.418390    0.0062  0.000391
   39.9870 2.253846   2  0  4    2   39.9847  2.253971   -0.0023 -0.000125
   44.0233 2.056021  -8  0  4    2   44.0251  2.055942    0.0018  0.000078
   44.3923 2.039776  -7  1  3    2   44.3901  2.039872   -0.0022 -0.000096
   44.6815 2.027238 -10  0  2    2   44.6811  2.027255   -0.0004 -0.000017
   48.2794 1.884173  -9  1  2    2   48.2772  1.884251   -0.0022 -0.000079
   51.3743 1.777657  -3  1  5    2   51.3769  1.777574    0.0026  0.000083
   55.3229 1.659715   7  1  3    2   55.3224  1.659730   -0.0005 -0.000014

 rmse = 0.00003137695
 
     A =    20.4101(9)         B =     3.4904(2)          C =    10.3297(5)      
 Alpha =    90.             Beta =   106.453(4)       Gamma =    90.             
 
 Volume =    705.75(4)