Ab initio phasing
Sheldrick, G. M.,
Gilmore, C. J.,
Hauptman, H. A.,
Weeks, C. M.,
Miller, R. and
Usón, I.,
International Tables for Crystallography
(2012).
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ch. 16.1,
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Conclusions and the grand challenge
Sheldrick, G. M.,
Gilmore, C. J.,
Hauptman, H. A.,
Weeks, C. M.,
Miller, R. and
Usón, I.,
International Tables for Crystallography
(2012).
Vol. F,
Section 16.1.13,
pp. 429-429
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The tangent formula
Sheldrick, G. M.,
Gilmore, C. J.,
Hauptman, H. A.,
Weeks, C. M.,
Miller, R. and
Usón, I.,
International Tables for Crystallography
(2012).
Vol. F,
Section 16.1.4.1,
pp. 417-417
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[
more
results from section 16.1.4 in volume F]
Flowchart and program comparison
Sheldrick, G. M.,
Gilmore, C. J.,
Hauptman, H. A.,
Weeks, C. M.,
Miller, R. and
Usón, I.,
International Tables for Crystallography
(2012).
Vol. F,
Section 16.1.9.1,
pp. 420-421
[ doi:10.1107/97809553602060000850 ]
coefficient, CC weak, calculated in the same way but using only the weak reflections, i.e. those not used directly for phasing.
References
Hauptman, H. A., Xu, H.,
Weeks,
C.
M. & Miller, R. (1999 ...
[
more
results from section 16.1.9 in volume F]
SUPERFLIP: charge flipping
Sheldrick, G. M.,
Gilmore, C. J.,
Hauptman, H. A.,
Weeks, C. M.,
Miller, R. and
Usón, I.,
International Tables for Crystallography
(2012).
Vol. F,
Section 16.1.12.6,
pp. 428-429
[ doi:10.1107/97809553602060000850 ]
...
[
more
results from section 16.1.12 in volume F]
Data completeness
Sheldrick, G. M.,
Gilmore, C. J.,
Hauptman, H. A.,
Weeks, C. M.,
Miller, R. and
Usón, I.,
International Tables for Crystallography
(2012).
Vol. F,
Section 16.1.1.2,
pp. 414-414
[ doi:10.1107/97809553602060000850 ]
...
[
more
results from section 16.1.1 in volume F]
Resolution enhancement: the `free lunch' algorithm
Sheldrick, G. M.,
Gilmore, C. J.,
Hauptman, H. A.,
Weeks, C. M.,
Miller, R. and
Usón, I.,
International Tables for Crystallography
(2012).
Vol. F,
Section 16.1.7,
pp. 419-419
[ doi:10.1107/97809553602060000850 ]
...
Random omit maps
Sheldrick, G. M.,
Gilmore, C. J.,
Hauptman, H. A.,
Weeks, C. M.,
Miller, R. and
Usón, I.,
International Tables for Crystallography
(2012).
Vol. F,
Section 16.1.5.3,
pp. 419-419
[ doi:10.1107/97809553602060000850 ]
...
[
more
results from section 16.1.5 in volume F]
SAD differences
Sheldrick, G. M.,
Gilmore, C. J.,
Hauptman, H. A.,
Weeks, C. M.,
Miller, R. and
Usón, I.,
International Tables for Crystallography
(2012).
Vol. F,
Section 16.1.2.2,
pp. 416-416
[ doi:10.1107/97809553602060000850 ]
...
[
more
results from section 16.1.2 in volume F]
Avoiding false minima
Sheldrick, G. M.,
Gilmore, C. J.,
Hauptman, H. A.,
Weeks, C. M.,
Miller, R. and
Usón, I.,
International Tables for Crystallography
(2012).
Vol. F,
Section 16.1.10.1,
pp. 422-423
[ doi:10.1107/97809553602060000850 ]
Scholar
Xu, H.,
Weeks,
C.
M., Deacon, A. M., Miller, R. & Hauptman, H. A. (2000). Ill-conditioned Shake-and-Bake: the trap of the false minimum . Acta Cryst. A 56, 112–118. Google Scholar
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[
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results from section 16.1.10 in volume F]
