******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050373
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.074
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.3118 4.860444   1  1  0    2   18.3185  4.858685    0.0067  0.001759
   18.8023 4.734236   1  0  1    2   18.7921  4.736791   -0.0102 -0.002555
   27.8149 3.213210   2  1  0    2   27.8170  3.212969    0.0021  0.000241
   29.0634 3.077599   0  0  2    2   29.0660  3.077331    0.0026  0.000269
   31.4434 2.849313   0  2  1    2   31.4420  2.849438   -0.0014 -0.000126
   40.6274 2.222711   2  1  2    2   40.6332  2.222406    0.0058  0.000305
   49.1272 1.855599   2  3  0    2   49.1249  1.855682   -0.0023 -0.000083
   52.9727 1.729404   0  2  3    2   52.9729  1.729396    0.0002  0.000007
   57.3824 1.606364   4  2  0    2   57.3777  1.606484   -0.0047 -0.000121
   58.0639 1.589097   2  3  2    2   58.0632  1.589115   -0.0007 -0.000018
   59.4852 1.554428   4  2  1    2   59.4862  1.554405    0.0010  0.000023
   65.5308 1.424721   0  4  2    2   65.5309  1.424719    0.0001  0.000002
   75.1074 1.264852   4  2  3    2   75.1083  1.264839    0.0009  0.000013
   80.6111 1.191707   4  4  1    2   80.6129  1.191685    0.0018  0.000022
   84.2214 1.149531   0  2  5    2   84.2204  1.149543   -0.0010 -0.000012

 rmse = 0.00003212043
 
     A =7.4187(2)              B =6.4294(2)               C =6.1547(1)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 293.565(9)