******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050006
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.124
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.6071 7.699850   1  1  1    2   11.5969  7.706667   -0.0102 -0.006817
   21.2986 4.192447   1  1  5    2   21.2962  4.192916   -0.0024 -0.000468
   22.0036 4.058924   2  2  0    2   21.9992  4.059733   -0.0044 -0.000809
   23.1877 3.853143   2  2  2    2   23.1865  3.853333   -0.0012 -0.000191
   25.0521 3.569021   1  3  3    2   25.0549  3.568622    0.0028  0.000399
   25.9513 3.446763   0  2  6    2   25.9609  3.445509    0.0096  0.001254
   26.8271 3.335670   3  1  1    2   26.8231  3.336162   -0.0040 -0.000491
   29.0579 3.083360   1  3  5    2   29.0628  3.082849    0.0049  0.000511
   31.5164 2.847263   0  4  4    2   31.5191  2.847022    0.0027  0.000242
   34.2726 2.623494   1  3  7    2   34.2692  2.623747   -0.0034 -0.000253
   37.1542 2.425686   3  1  7    2   37.1521  2.425817   -0.0021 -0.000131
   51.3528 1.781780   3  5  7    2   51.3497  1.781882   -0.0031 -0.000102
   52.1532 1.756236   5  3  5    2   52.1562  1.756142    0.0030  0.000094

 rmse = 0.00003426225
 
     A =    10.4677(8)         B =    12.864(2)           C =    24.481(4)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   3296.7(3)