Chekcell: Results for xfit.txt
CRYSFIRE Solution Nb   7
Cell:   11.9340   11.9340    6.3970    90.000    90.000   120.000
Space group:NO EXT.
Wavelength:    1.54056
Angular Tolerance:    0.100
Nb of calculated lines:  282
Nb of observed lines  :   30
Nb of indexed lines   :   28
Mean difference:  0.00585 (SQRT(Dif^2)/Nb)

  N    h   k   l    ThObs     Thcalc     Dif
   1   3   0   0    25.845    25.840     0.005
   2   0   3   1    29.431    29.423     0.008
   3   2   2   0    29.909    29.924    -0.015
   4   1   1   2    31.712    31.714    -0.002
   5   2   2   1    33.086    33.103    -0.017
   6   0   3   2    38.363    38.370    -0.007
   7                39.914
   8                41.299
   9                42.442
  10                43.046
  11   1   1   3    45.134    45.115     0.019
  12   3   3   0    45.556    45.569    -0.013
  13                47.828
  14   1   4   2    49.394    49.405    -0.011
  15                52.780
  16                53.175
  17   3   3   2    54.262    54.264    -0.002
  18   2   5   0    55.460    55.477    -0.017
  19                57.492
  20   1   4   3    59.622    59.621     0.001
  21                59.950
  22   0   6   2    61.064    61.049     0.015
  23   5   2   2    63.209    63.209     0.000
  24                64.069
  25   4   4   2    69.460    69.467    -0.007
  26                70.216
  27                72.070
  28                72.483
  29   7   1   2    75.478    75.477     0.001
  30   3   6   2    79.384    79.391    -0.007
