Editing Reverse Monte Carlo
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#:<math>S_o^C (Q)-1=\frac{4\pi\rho}{Q}\int\limits_{0}^{\infty} r(g_o^C(r)-1)\sin(Qr)\, dr</math> | #:<math>S_o^C (Q)-1=\frac{4\pi\rho}{Q}\int\limits_{0}^{\infty} r(g_o^C(r)-1)\sin(Qr)\, dr</math> | ||
#:where ''Q'' is the momentum transfer and <math>\rho</math> the number density. | #:where ''Q'' is the momentum transfer and <math>\rho</math> the number density. | ||
#Calculate the difference between the measured structure factor <math>S^E(Q)</math> | #Calculate the difference between the measured structure factor <math>S^E(Q)</math> and the one calculated from the configuration <math>S_o^C(Q)</math>: | ||
#:<math>\chi_o^2=\sum_i(S_o^C(Q_i)-S^E(Q_i))^2/\sigma(Q_i)^2</math> | #:<math>\chi_o^2=\sum_i(S_o^C(Q_i)-S^E(Q_i))^2/\sigma(Q_i)^2</math> | ||
#:this sum is taken over all experimental points <math>\sigma</math> is the experimental error. | #:this sum is taken over all experimental points <math>\sigma</math> is the experimental error. |