******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R040052
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.048
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.4128 5.102787   0  2  0    2   17.4282  5.098286    0.0154  0.004501
   22.9521 3.879656   0  2  1    2   22.9490  3.880167   -0.0031 -0.000511
   23.9252 3.723697   1  0  1    2   23.9320  3.722649    0.0068  0.001047
   32.3904 2.765778   1  3  0    2   32.3966  2.765262    0.0062  0.000515
   35.7905 2.510080   1  3  1    2   35.7912  2.510035    0.0007  0.000045
   36.5804 2.457599   1  1  2    2   36.5863  2.457215    0.0059  0.000384
   38.4073 2.344649   0  4  1    2   38.4000  2.345081   -0.0073 -0.000432
   38.9068 2.315652   2  1  0    2   38.9045  2.315784   -0.0023 -0.000132
   39.7625 2.267707   1  2  2    2   39.7643  2.267610    0.0018  0.000098
   40.1485 2.246764   1  4  0    2   40.1488  2.246750    0.0003  0.000014
   41.8477 2.159273   2  1  1    2   41.8412  2.159594   -0.0065 -0.000321
   44.6404 2.030310   1  3  2    2   44.6379  2.030418   -0.0025 -0.000108
   48.5787 1.874349   1  5  0    2   48.5809  1.874270    0.0022  0.000079
   50.4295 1.809746   1  1  3    2   50.4322  1.809654    0.0027  0.000092
   51.0676 1.788599   1  5  1    2   51.0697  1.788529    0.0021  0.000070
   52.3305 1.748327   2  2  2    2   52.3267  1.748444   -0.0038 -0.000117
   52.6379 1.738829   2  4  0    2   52.6379  1.738828    0.0000  0.000001
   52.9355 1.729743   1  2  3    2   52.9345  1.729772   -0.0010 -0.000029
   55.0000 1.669540   2  4  1    2   54.9938  1.669713   -0.0062 -0.000173
   56.9349 1.617261   1  3  3    2   56.9326  1.617321   -0.0023 -0.000060
   58.0704 1.588284   1  5  2    2   58.0742  1.588190    0.0038  0.000094
   62.0524 1.495496   0  0  4    2   62.0550  1.495440    0.0026  0.000056
   62.8854 1.477659   0  6  2    2   62.8898  1.477566    0.0044  0.000094
   73.1603 1.293271   0  6  3    2   73.1525  1.293389   -0.0078 -0.000118
   83.7393 1.154631   3  5  2    2   83.7437  1.154581    0.0044  0.000050

 rmse = 0.00004998817
 
     A =     4.7558(2)         B =    10.1965(4)          C =     5.9817(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    290.07(1)