******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060069
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.071
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.1965 4.014330   1  2  1    2   22.2046  4.012875    0.0081  0.001455
   26.2310 3.403651   3  3  0    2   26.2400  3.402500    0.0090  0.001151
   27.0056 3.307499   1  4  1    2   27.0036  3.307745   -0.0020 -0.000247
   27.6482 3.231870   2  3  1    2   27.6534  3.231269    0.0052  0.000600
   29.1465 3.068644   0  5  1    2   29.1493  3.068359    0.0028  0.000285
   30.5602 2.929502   2  6  0    2   30.5596  2.929556   -0.0006 -0.000054
   30.9424 2.894099   3  2  1    2   30.9366  2.894626   -0.0058 -0.000527
   32.9334 2.723162   2  5  1    2   32.9320  2.723273   -0.0014 -0.000111
   33.6090 2.669834   1  6  1    2   33.6012  2.670437   -0.0078 -0.000603
   35.2117 2.551651   4  4  0    2   35.2085  2.551875   -0.0032 -0.000224
   35.5279 2.529617   0  8  0    2   35.5258  2.529764   -0.0021 -0.000147
   36.2143 2.483135   4  1  1    2   36.2068  2.483633   -0.0075 -0.000497
   36.5138 2.463412   0  7  1    2   36.5165  2.463234    0.0027  0.000178
   38.3940 2.346765   4  3  1    2   38.4018  2.346307    0.0078  0.000459
   40.5217 2.228098   0  8  1    2   40.5218  2.228091    0.0001  0.000007
   63.5239 1.464793   4 12  0    2   63.5246  1.464778    0.0007  0.000015

 rmse = 0.00004322590
 
     A =11.821(1)              B =20.238(1)               C =4.7048(8)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 1125.6(2)