******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050074
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.040
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.8925 6.387457   1  1  0    2   13.9027  6.382763    0.0102  0.004694
   19.2029 4.627685   2  0  0    2   19.2044  4.627336    0.0015  0.000349
   27.9750 3.191254   2  2  0    2   27.9739  3.191381   -0.0011 -0.000128
   29.9131 2.988478  -2  2  1    2   29.9188  2.987917    0.0057  0.000561
   31.9711 2.800407   1  3  0    2   31.9706  2.800446   -0.0005 -0.000039
   35.2202 2.548859  -1  3  1    2   35.2119  2.549440   -0.0083 -0.000582
   43.1128 2.098325  -4  2  1    2   43.1093  2.098487   -0.0035 -0.000162
   46.8924 1.937480  -2  4  1    2   46.8983  1.937250    0.0059  0.000230
   52.8620 1.731715   1  5  0    2   52.8600  1.731776   -0.0020 -0.000061
   57.7660 1.595717   4  4  0    2   57.7670  1.595691    0.0010  0.000026

 rmse = 0.00004843928
 
     A =     9.682(1)          B =     8.8145(6)          C =     5.306(4)       
 Alpha =    90.             Beta =   107.08(3)        Gamma =    90.             
 
 Volume =    432.9(3)