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. 2018 Apr 27;5(Pt 3):348–353. doi: 10.1107/S2052252518005237

Table 2. Parameterization of X-ray scattering factors of ions for the four Gaussians plus a constant model.

  a 1 a 2 a 3 a 4 c R scat
Ion b 1 b 2 b 3 b 4   (%)
C+ 6.727E+0 1.439E+0 2.191E+0 9.913E-1 −6.349E+0 0.0154
4.479E-3 6.231E-1 1.313E+1 2.971E+1  
C 1.598E+0 2.161E+0 2.360E+0 6.549E-1 2.238E-1 0.0606
5.843E-1 1.346E+1 3.831E+1 1.405E+2  
N+ 1.570E+0 2.068E+0 1.847E+0 2.870E-1 2.271E-1 0.0025
4.122E-1 8.064E+0 1.665E+1 3.340E+1  
N 1.569E+0 2.640E+0 2.795E+0 7.386E-1 2.551E-1 0.0394
4.393E-1 9.202E+0 2.624E+1 9.062E+1  
O+ 1.553E+0 2.237E+0 2.466E+0 5.079E-1 2.367E-1 0.0015
3.148E-1 5.618E+0 1.191E+1 2.504E+1  
O 1.535E+0 3.038E+0 3.280E+0 8.555E-1 2.886E-1 0.0346
3.459E-1 6.556E+0 1.876E+1 6.328E+1  
P+ 1.732E+0 6.472E+0 3.698E+0 9.940E-1 1.105E+0 0.0065
5.089E-1 1.893E+0 2.424E+1 5.215E+1  
P 1.990E+0 6.243E+0 4.686E+0 1.928E+0 1.146E+0 0.0423
5.903E-1 1.967E+0 3.046E+1 1.031E+2  
P2+ 1.825E+0 6.368E+0 3.076E+0 6.076E-1 1.124E+0 0.0046
5.431E-1 1.924E+0 2.114E+1 4.185E+1  
S+ 1.419E+0 6.923E+0 4.736E+0 1.076E+0 8.458E-1 0.0115
2.405E-1 1.459E+0 2.028E+1 4.519E+1  
S 1.505E+0 6.721E+0 5.614E+0 2.130E+0 1.024E+0 0.0372
3.506E-1 1.507E+0 2.411E+1 7.728E+1  
S2+ 1.442E+0 6.787E+0 4.206E+0 5.939E-1 9.715E-1 0.0092
3.088E-1 1.488E+0 1.846E+1 3.950E+1  
S3+ 1.611E+0 6.550E+0 3.434E+0 3.284E-1 1.078E+0 0.0051
4.062E-1 1.543E+0 1.637E+1 3.422E+1  

Defined in equation (6). Calculated between the scattering factors and the fitted curves. Summation over data from sinθ/λ = 0 to 2 Å−1.