Since the neutron scattering factors for H, and especially for D, are of a similar order of magnitude to those for other atoms, H and D also need to be refined anisotropically for refinement against neutron data.
The structure has been verified by Rietveld refinement against laboratory powder X-ray diffraction data.
Drawings by both artists, and their followers, pit Raphael's sprezzatura, or relaxed refinement, against Michelangelo's vein-popping muscularity.
The structure determination utilized specific isotopic labeling patterns (2H, 13C and 15N) and refinement against residual dipolar couplings.
With the dynamic SGS wrinkling models, the LES results converge with grid refinement against the flame resolved simulation results.
Pitting refinement against sexual force, passion against affectation, continually skirting melodrama, it is daunting to direct in the theatre, not least because it culminates in a rape.
Best-ranked glob models can be further refined against solvent accessibility data, if available, and then converted to explicit all-atom coordinates for refinement against SAXS data using the Xplor-NIH program.
Structural refinement against the CXMS restraints was performed using Xplor-NIH (Schwieters et al. 2006).
During refinement against the high-pressure data the piperidine molecules were treated as rigid groups using the Z-matrix formalism.
When all the input files and constraint files are prepared, a user can start the ensemble rigid-body refinement against the CXMS restraints.
For a protein complex, the structural refinement against CXMS restraints was first performed with a single-conformer (N = 1) representation for the complex.
