MAD phasing: probabilistic estimate of [F (oa)].
The method of the joint probability distribution function is applied in order to estimate the structure-factor moduli of the anomalous scatterer substructure. The two-wavelength case is examined: the prior knowledge of the moduli [F(1)(+)], [F(1)(-)], [F(2)(+)], [F(2)(-)] is used to predict the value of [F(oa)] arising from the normal scattering of the anomalous scatterers. The conclusive formula is applied to ideal and to real cases: evidence of the usefulness of the approach is obtained.
Burla
Maria Cristina
MC
Dipartimento di Scienze della Terra, Piazza Universita', 06100 Perugia, Italy.
Carrozzini
Benedetta
B
Cascarano
Giovanni Luca
GL
Giacovazzo
Carmelo
C
Polidori
Giampiero
G
Siliqi
Dritan
D
D019295:Computational Biology; D008956:Models, Chemical; D015233:Models, Statistical; D011336:Probability