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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050498
 
 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
    9.8032 9.031317   0  2  0    2    9.8088  9.026164    0.0056  0.005153
   10.5133 8.421820   1  1  0    2   10.5187  8.417470    0.0054  0.004350
   18.1876 4.878350  -1  1  1    2   18.1918  4.877221    0.0042  0.001129
   18.6508 4.758110   2  0  0    2   18.6529  4.757588    0.0021  0.000522
   19.6739 4.512698   0  4  0    2   19.6722  4.513082   -0.0017 -0.000385
   21.1041 4.209738   2  2  0    2   21.1092  4.208735    0.0051  0.001003
   22.9518 3.874584  -1  3  1    2   22.9476  3.875280   -0.0042 -0.000695
   27.2339 3.273909   2  4  0    2   27.2309  3.274258   -0.0030 -0.000349
   28.5678 3.123907   3  1  0    2   28.5681  3.123876    0.0003  0.000030
   31.8853 2.805861   3  3  0    2   31.8857  2.805823    0.0004  0.000038
   32.7738 2.731753  -3  3  1    2   32.7677  2.732249   -0.0061 -0.000495
   33.1083 2.704899   1  5  1    2   33.1082  2.704905   -0.0001 -0.000006
   34.5992 2.591620   0  6  1    2   34.5995  2.591597    0.0003  0.000023
   35.4248 2.533059  -2  0  2    2   35.4285  2.532800    0.0037  0.000259
   37.7330 2.383168   3  5  0    2   37.7382  2.382851    0.0052  0.000317
   38.5054 2.337099  -3  5  1    2   38.5021  2.337291   -0.0033 -0.000191
   39.1767 2.298566  -1  7  1    2   39.1829  2.298214    0.0062  0.000352
   39.5997 2.274971  -3  1  2    2   39.5960  2.275174   -0.0037 -0.000202
   41.7774 2.161230   2  6  1    2   41.7745  2.161373   -0.0029 -0.000143
   45.3012 2.000901   3  7  0    2   45.3002  2.000944   -0.0010 -0.000043
   48.0492 1.892643   5  1  0    2   48.0517  1.892548    0.0025  0.000094
   50.2625 1.814336   5  3  0    2   50.2588  1.814460   -0.0037 -0.000124
   55.6986 1.649388   4  6  1    2   55.6997  1.649358    0.0011  0.000029
   56.1566 1.637012   4  8  0    2   56.1522  1.637129   -0.0044 -0.000117
   56.9047 1.617248   1 11  0    2   56.9049  1.617243    0.0002  0.000005
   58.1364 1.585872   6  0  0    2   58.1368  1.585863    0.0004  0.000009
   64.7846 1.438213  -6  6  1    2   64.7906  1.438093    0.0060  0.000119
   72.0614 1.309794  -7  5  1    2   72.0591  1.309830   -0.0023 -0.000036

 rmse = 0.00003389019
 
     A =     9.8398(2)         B =    18.0523(6)          C =     5.2757(4)      
 Alpha =    90.             Beta =   104.759(5)       Gamma =    90.             
 
 Volume =    906.21(7)