PDB file name .......................................... : 1WLA.pdb
 Data file name ......................................... : newfile.dat
 Angular units multiplied by ............................ : 0.1000
 Background constant adjustment 
 Maximum s value ........................................ : 0.6000
 Number of points on theoretical grid ................... : 121
 Maximum order of harmonics ............................. : 20
 Electron density of the solvent, e/A**3 ................ : 0.3340
 Square of total scattering length ...................... : 1.608e+7
 Average electron density ............................... : 0.4241
 Center of excess density:   14.010  22.094   8.301
 Structure was shifted to origin
 Geometrical center:  -0.181   0.419  -0.303
 Center of mass:              -0.141   0.431  -0.299
 Center of electron density:   -0.150   0.445  -0.300
 Molecular weight in Da ................................. : 3.533e+4
 Molecular radius ....................................... : 24.57
 Molecular diameter ..................................... : 46.49
 Hydrated particle volume ............................... : 5.294e+4
 Total number of water beads generated .................. : 732
 Water beads on outer surface ........................... : 665
 Water beads on inner surface ........................... : 2
 Water beads in internal cavities ....................... : 65
 Number of points to fit ................................ : 2066
 Chi value .............................................. : 0.9143
 Radius of Gyration ..................................... : 16.28
 Effective contrast of hydration shell .................. : 6.600e-2