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 Results for by Watenpaugh, K. D.   page 1 of 2 pages.
Individual reflections
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M., International Tables for Crystallography (2006). Vol. G, Section 3.6.6.3.1, p. [ doi:10.1107/97809553602060000738 ]
and their A and B components in arbitrary units (Example 3.6.6.12). A figure of merit (_refln.fom) can also be included for reflections that were phased using experimental methods. Example 3.6.6.12. Part of the reflection list ...

Reflection measurements
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M., International Tables for Crystallography (2006). Vol. G, Section 3.6.6.3, p. [ doi:10.1107/97809553602060000738 ]
Classification and use of macromolecular data The categories describing the reflections used in the refinement are as follows: REFLN group Individual reflections (§3.6.6.3.1)   REFLN ...

Phasing via multiple-wavelength anomalous dispersion
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M., International Tables for Crystallography (2006). Vol. G, Section 3.6.6.1.4, p. [ doi:10.1107/97809553602060000738 ]
dictionary is that of Hendrickson, as exemplified in the structure determination of N-cadherin (Shapiro et al., 1995 ; Example 3.6.6.4). In current practice, MAD phasing is often treated as a special case of MIR phasing and the PHASING_MIR ...

Phasing via molecular averaging
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M., International Tables for Crystallography (2006). Vol. G, Section 3.6.6.1.2, p. [ doi:10.1107/97809553602060000738 ]
using averaging over multiple observations of the molecule in the asymmetric unit and of any specific details of the application of the method to the current structure determination (Example 3.6.6.2). Note that the reference to the method ...

History of the refinement
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M., International Tables for Crystallography (2006). Vol. G, Section 3.6.6.2.5, p. [ doi:10.1107/97809553602060000738 ]
Example 3.6.6.11 shows an entry for a single cycle of refinement. It is likely that an author would present a representative sequence of entries in a looped list. Example 3.6.6.11. An example of one cycle of refinement described with data ...

Phasing data sets
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M., International Tables for Crystallography (2006). Vol. G, Section 3.6.6.1.6, p. [ doi:10.1107/97809553602060000738 ]
the PHASING_MAD or PHASING_MIR family of categories, but accessible to both these families (and any similar categories that might be introduced later to describe new phasing methods). Figs. 3.6.6.1 and 3.6.6.2 show how reference is made ...

Phasing
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M., International Tables for Crystallography (2006). Vol. G, Section 3.6.6.1, p. [ doi:10.1107/97809553602060000738 ]
molecular averaging (§3.6.6.1.2)   PHASING_AVERAGING Phasing via isomorphous replacement (§3.6.6.1.3)   PHASING_ISOMORPHOUS Phasing via multiple-wavelength anomalous dispersion (§3.6.6.1.4 ...

Refinement
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M., International Tables for Crystallography (2006). Vol. G, Section 3.6.6.2, p. [ doi:10.1107/97809553602060000738 ]
  REFINE_FUNCT_MINIMIZED Analysis of the refined structure (§3.6.6.2.2)   REFINE_ANALYZE Restraints and refinement by shells of resolution (§3.6.6.2.3)   REFINE_LS_RESTR   REFINE_LS_RESTR_NCS ...

Overall description of phasing
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M., International Tables for Crystallography (2006). Vol. G, Section 3.6.6.1.1, p. [ doi:10.1107/97809553602060000738 ]
3.6.6.1). Example 3.6.6.1. The methods used to generate the phases for a hypothetical structure described with the data item in the PHASING category. References International ...

Analysis of the refined structure
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M., International Tables for Crystallography (2006). Vol. G, Section 3.6.6.2.2, p. [ doi:10.1107/97809553602060000738 ]
3.6.6.8). Related data names allow the specification of the value of used in constructing the Luzzati plot. Example 3.6.6.8. Aspects of the refinement of an HIV-1 protease structure (PDB 5HVP) described with data items ...

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