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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050282
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.051
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.0701 8.022624   0  0  2    2   11.0817  8.014180    0.0116  0.008444
   16.9263 5.249471   0  1  1    2   16.9333  5.247301    0.0070  0.002169
   20.4768 4.344305   1  0  2    2   20.4822  4.343162    0.0054  0.001142
   22.2151 4.007363   0  0  4    2   22.2166  4.007090    0.0015  0.000273
   22.6865 3.924962   1  1  0    2   22.6934  3.923776    0.0069  0.001186
   22.9324 3.883335  -1  1  1    2   22.9452  3.881185    0.0128  0.002150
   27.1682 3.285598  -1  1  3    2   27.1641  3.286087   -0.0041 -0.000489
   27.4771 3.249290   0  1  4    2   27.4755  3.249476   -0.0016 -0.000186
   28.9057 3.091585   1  0  4    2   28.9079  3.091355    0.0022  0.000230
   29.2994 3.050860   1  1  3    2   29.2888  3.051945   -0.0106 -0.001085
   30.6483 2.919365  -1  1  4    2   30.6564  2.918609    0.0081  0.000756
   32.7612 2.735456   0  2  1    2   32.7556  2.735912   -0.0056 -0.000456
   33.1907 2.700978   1  1  4    2   33.1897  2.701054   -0.0010 -0.000076
   38.5145 2.338495  -2  1  3    2   38.5083  2.338858   -0.0062 -0.000363
   39.0035 2.310257   1  0  6    2   39.0086  2.309968    0.0051  0.000289
   39.4981 2.282422   0  2  4    2   39.5007  2.282277    0.0026  0.000146
   42.3944 2.132763   1  1  6    2   42.3934  2.132812   -0.0010 -0.000049
   43.1176 2.098608   0  2  5    2   43.1133  2.098807   -0.0043 -0.000199
   48.3009 1.884573   0  1  8    2   48.2991  1.884639   -0.0018 -0.000066
   50.8053 1.797301   2  2  3    2   50.8074  1.797231    0.0021  0.000070
   55.6686 1.651106   1  3  3    2   55.6647  1.651214   -0.0039 -0.000108
   75.8749 1.253608  -1  4  5    2   75.8775  1.253571    0.0026  0.000037

 rmse = 0.00004413846
 
     A =5.5782(7)              B =5.5533(2)               C =16.125(1)           
 Alpha =90                  Beta =96.273(8)           Gamma =90                  
 
 Volume = 496.52(6)