******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050499
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.055
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.0904 9.779094   2  0  0    2    9.0777  9.792874   -0.0127 -0.013780
   18.1610 4.895363   4  0  0    2   18.1570  4.896437   -0.0040 -0.001074
   22.3191 3.989607   2  0  2    2   22.3169  3.990005   -0.0022 -0.000398
   27.3505 3.264551   6  0  0    2   27.3527  3.264291    0.0022  0.000260
   27.9143 3.199753   1  1  1    2   27.9150  3.199679    0.0007  0.000074
   32.1384 2.787460  -3  1  2    2   32.1362  2.787648   -0.0022 -0.000188
   32.4539 2.761033   1  1  2    2   32.4490  2.761440   -0.0049 -0.000407
   33.8909 2.646987  -5  1  1    2   33.8952  2.646662    0.0043  0.000325
   34.7684 2.582058  -2  0  4    2   34.7746  2.581610    0.0062  0.000448
   36.3673 2.471949   3  1  2    2   36.3668  2.471981   -0.0005 -0.000032
   36.8073 2.443358  -1  1  3    2   36.8050  2.443505   -0.0023 -0.000147
   40.0040 2.254902   2  0  4    2   40.0029  2.254962   -0.0011 -0.000060
   41.3598 2.183964  -7  1  2    2   41.3590  2.184002   -0.0008 -0.000038
   42.1178 2.146344   5  1  2    2   42.1118  2.146634   -0.0060 -0.000290
   44.0646 2.055808  -8  0  4    2   44.0566  2.056165   -0.0080 -0.000357
   44.4134 2.040449  -7  1  3    2   44.4116  2.040526   -0.0018 -0.000077
   44.6997 2.028026 -10  0  2    2   44.7004  2.027994    0.0007  0.000032
   49.3492 1.847068   9  1  0    2   49.3507  1.847016    0.0015  0.000052
   51.3916 1.778277  -3  1  5    2   51.3979  1.778073    0.0063  0.000204
   54.6280 1.680218   2  2  1    2   54.6373  1.679955    0.0093  0.000263
   61.0211 1.518440   4  2  2    2   61.0153  1.518571   -0.0058 -0.000131
   62.2289 1.491812   6  2  1    2   62.2339  1.491704    0.0050  0.000108
   66.8730 1.398952  14  0  0    2   66.8714  1.398982   -0.0016 -0.000030
   76.3981 1.246371 -16  0  4    2   76.4036  1.246294    0.0055  0.000077
   82.1253 1.173274 -12  2  4    2   82.1190  1.173349   -0.0063 -0.000075

 rmse = 0.00005410460
 
     A =    20.4190(6)         B =     3.4927(1)          C =    10.3314(8)      
 Alpha =    90.             Beta =   106.424(5)       Gamma =    90.             
 
 Volume =    706.75(5)