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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040146
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.125
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.7237 5.676118   2  0  0    2   15.7281  5.674540    0.0044  0.001578
   19.7951 4.509484   1  1  1    2   19.7963  4.509215    0.0012  0.000270
   22.6142 3.950176  -3  1  2    2   22.6270  3.947966    0.0128  0.002210
   26.1571 3.420047  -2  2  1    2   26.1461  3.421474   -0.0110 -0.001426
   27.0217 3.312040  -3  1  3    2   27.0314  3.310866    0.0097  0.001174
   27.8922 3.210154   2  2  0    2   27.8969  3.209622    0.0047  0.000531
   28.2479 3.170355   1  1  2    2   28.2558  3.169480    0.0079  0.000875
   30.6681 2.924429   0  2  2    2   30.6670  2.924533   -0.0011 -0.000103
   32.9128 2.729165   2  2  1    2   32.9020  2.730039   -0.0108 -0.000874
   34.0754 2.638319  -4  2  2    2   34.0729  2.638505   -0.0025 -0.000186
   35.8428 2.511716  -4  2  3    2   35.8442  2.511621    0.0014  0.000095
   37.2148 2.421895  -5  1  4    2   37.2127  2.422025   -0.0021 -0.000130
   39.3862 2.292804   4  2  0    2   39.3877  2.292721    0.0015  0.000083
   42.3249 2.139686   3  3  0    2   42.3236  2.139748   -0.0013 -0.000062
   47.2781 1.925822   0  2  4    2   47.2781  1.925821    0.0000  0.000001
   49.9359 1.829111  -6  0  6    2   49.9351  1.829140   -0.0008 -0.000029
   53.2110 1.723723  -2  4  3    2   53.2082  1.723809   -0.0028 -0.000086
   60.0472 1.542373   1  5  0    2   60.0475  1.542365    0.0003  0.000008
   75.1660 1.264733   2  6  0    2   75.1677  1.264709    0.0017  0.000025

 rmse = 0.00004420184
 
     A =    14.365(2)          B =     7.7840(2)          C =    11.2203(8)      
 Alpha =    90.             Beta =   127.810(6)       Gamma =    90.             
 
 Volume =    991.2(1)