******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050672
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.040
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.6053 4.533435   2  1  0    2   19.6081  4.532798    0.0028  0.000636
   23.3497 3.812977   2  2  0    2   23.3519  3.812615    0.0022  0.000363
   24.8308 3.588428   0  2  1    2   24.8370  3.587545    0.0062  0.000883
   28.1655 3.170084   2  1  1    2   28.1695  3.169640    0.0040  0.000443
   28.5695 3.126105   2  3  0    2   28.5705  3.126001    0.0010  0.000103
   29.2641 3.053364   0  4  0    2   29.2733  3.052421    0.0092  0.000943
   30.9462 2.890908   2  2  1    2   30.9468  2.890851    0.0006  0.000057
   34.6754 2.587703   2  4  0    2   34.6696  2.588120   -0.0058 -0.000417
   35.1347 2.554881   2  3  1    2   35.1347  2.554883    0.0000 -0.000002
   35.7255 2.513926   0  4  1    2   35.7209  2.514239   -0.0046 -0.000314
   37.3147 2.410313   3  2  1    2   37.3130  2.410421   -0.0017 -0.000107
   37.5845 2.393610   4  1  0    2   37.5867  2.393477    0.0022  0.000133
   40.3586 2.235086   2  4  1    2   40.3565  2.235199   -0.0021 -0.000113
   40.9315 2.205085   3  3  1    2   40.9308  2.205121   -0.0007 -0.000036
   41.3487 2.183773   2  5  0    2   41.3454  2.183938   -0.0033 -0.000165
   41.7875 2.161828   1  0  2    2   41.7854  2.161931   -0.0021 -0.000103
   42.4687 2.128683   1  1  2    2   42.4659  2.128817   -0.0028 -0.000134
   43.3057 2.089421   1  5  1    2   43.3053  2.089440   -0.0004 -0.000019
   46.3435 1.959166   2  5  1    2   46.3433  1.959176   -0.0002 -0.000010
   50.2052 1.817024   1  6  1    2   50.2014  1.817152   -0.0038 -0.000128
   53.0377 1.726391   4  5  0    2   53.0400  1.726320    0.0023  0.000071
   54.9416 1.670939   3  3  2    2   54.9489  1.670735    0.0073  0.000205
   55.9803 1.642350   2  7  0    2   55.9732  1.642541   -0.0071 -0.000191
   60.6557 1.526379   0  8  0    2   60.6631  1.526211    0.0074  0.000168
   68.6878 1.366060   6  4  1    2   68.6868  1.366078   -0.0010 -0.000018
   74.6569 1.270869   6  6  0    2   74.6567  1.270872   -0.0002 -0.000003
   76.9945 1.237988   4  2  3    2   76.9939  1.237997   -0.0006 -0.000009

 rmse = 0.00004142894
 
     A =     9.7633(4)         B =    12.2096(4)          C =     4.4339(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    528.55(2)