your search
 Results for by van Smaalen, S.
Application of the maximum-entropy method to powder-diffraction data
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, ch. 4.8, pp. 473-488 [ doi:10.1107/97809553602060000963 ]
; Palatinus & van Smaalen, 2002 ; van Smaalen et al., 2003 ; Buchter et al., 2011). The same condition holds for MaxEnt reconstruction of extended X-ray absorption fine structure (EXAFS) analysis (Gull & Skilling, 1984 ...

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, pp. 477-477 [ doi:10.1107/97809553602060000963 ]
requirements of the MEM approach, for example leading to an MEM-optimized electron density that better obeys the criterion than the Sakata–Sato algorithm does (van Smaalen et al., 2003). Nevertheless, the MEM-optimized electron-density map ...
     [more results from section 4.8.5 in volume H]

Stopping criterion
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, Section 4.8.8.2, pp. 485-486 [ doi:10.1107/97809553602060000963 ]
the atoms. This procedure has worked well for several data sets. It could be shown that the optimal value of is related to the goodness of fit (GoF) of a multipole refinement using the same data by the relation = 0.68 × GoF (van Smaalen & Netzel, 2009 ...
     [more results from section 4.8.8 in volume H]

Accurate electron densities
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, Section 4.8.7.6, pp. 484-485 [ doi:10.1107/97809553602060000963 ]
...
     [more results from section 4.8.7 in volume H]

Constraints in the MEM based on the measured intensities from powder-diffraction data
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, Section 4.8.6, pp. 477-480 [ doi:10.1107/97809553602060000963 ]
on calculated structure factors,, of the prior structure model (Palatinus & van Smaalen, 2005): where the symbols have the same meaning as in equations (4.8.10) and (4.8.28), but and is the number of reflections included in the PDC ...
     [more results from section 4.8.6 in volume H]

The principle of maximum entropy
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, Section 4.8.2, pp. 474-475 [ doi:10.1107/97809553602060000963 ]
...

Crystallographic MEM equations
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, Section 4.8.4, pp. 476-476 [ doi:10.1107/97809553602060000963 ]
...

Prior densities in MEM calculations
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, Section 4.8.3, pp. 475-476 [ doi:10.1107/97809553602060000963 ]
et al., 1995 ; Schotte et al., 1995 ; de Vries et al., 1996 ; Roversi et al., 1998 ; Papoular et al., 2002 ; Palatinus & van Smaalen, 2002 ; van Smaalen et al., 2003 ; Buchter et al., 2011). The same ...

Introduction
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, Section 4.8.1, pp. 473-474 [ doi:10.1107/97809553602060000963 ]
size 0.1 e Å −3 . [Reprinted with permission from de Vries et al. (1996). Copyright (1996) American Physical Society.] References Dinnebier, R. E., Schneider, M., van Smaalen, S., Olbrich, F. & Behrens, U ...

powered by swish-e
























































to end of page
to top of page