Cambridge algorithm (Bryan & Skilling, 1980, 1986; Burch et al., 1983; Skilling & Bryan, 1984; Gull & Skilling, 1987, 1999)
Magdysyuk, O.V.,
van Smaalen, S. and
Dinnebier, R.E.,
International Tables for Crystallography
(2019).
Vol. H,
Section 4.8.5.3,
p.
[ doi:10.1107/97809553602060000963 ]
to the Gull–Daniell algorithm (Section
4.8.5.1). Initially, for a large but fixed value of α the maximum of Q [{ρ i }] is determined by iteration over {ρ i }. The value of α is gradually decreased, and at each value of α a new estimate of {ρ ...
Two-channel MaxEnt method (Papoular & Gillon, 1990; Zheludev et al., 1995; Papoular et al., 1996)
Magdysyuk, O.V.,
van Smaalen, S. and
Dinnebier, R.E.,
International Tables for Crystallography
(2019).
Vol. H,
Section 4.8.5.4,
p.
[ doi:10.1107/97809553602060000963 ]
...
MEM algorithms
Magdysyuk, O.V.,
van Smaalen, S. and
Dinnebier, R.E.,
International Tables for Crystallography
(2019).
Vol. H,
Section 4.8.5,
p.
[ doi:10.1107/97809553602060000963 ]
to the electron density:
4.8.5.1. Exponential modelling algorithm (Gull & Daniell, 1978 ; Collins, 1982 ; Collins & Mahar, 1983)
| top | pdf |
The simplest algorithm is the exponential modelling algorithm (Gull–Daniell ...
Exponential modelling algorithm (Gull & Daniell, 1978; Collins, 1982; Collins & Mahar, 1983)
Magdysyuk, O.V.,
van Smaalen, S. and
Dinnebier, R.E.,
International Tables for Crystallography
(2019).
Vol. H,
Section 4.8.5.1,
p.
[ doi:10.1107/97809553602060000963 ]
...
Sakata–Sato algorithm (Sakata & Sato, 1990; Sakata et al., 1990, 1992, 1993; Kumazawa et al., 1995)
Magdysyuk, O.V.,
van Smaalen, S. and
Dinnebier, R.E.,
International Tables for Crystallography
(2019).
Vol. H,
Section 4.8.5.2,
p.
[ doi:10.1107/97809553602060000963 ]
...
Valence-only MaxEnt method (Roversi et al., 1998)
Magdysyuk, O.V.,
van Smaalen, S. and
Dinnebier, R.E.,
International Tables for Crystallography
(2019).
Vol. H,
Section 4.8.5.5,
p.
[ doi:10.1107/97809553602060000963 ]
...
