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).
Vol. F,
ch. 16.1,
pp. 413-432
[ doi:10.1107/97809553602060000850 ]
–283. Google Scholar
Chang, C.-S.,
Weeks,
C.
M., Miller, R. & Hauptman, H. A. (1997). Incorporating tangent refinement in the Shake-and-Bake formalism. Acta Cryst. A 53, 436–444. Google Scholar
Cochran, W. (1955 ...
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
[ doi:10.1107/97809553602060000850 ]
Weeks,
C.
M., Jelsch, C., Zhang, R. & Niu, L. (2003). The crystal structure of a novel, inactive, lysine 49 PLA2 from Agkistrodon acutus venom: an ultrahigh resolution, ab initio structure determination . J. Biol. Chem. 278, 41400–41408 ...
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
[ doi:10.1107/97809553602060000850 ]
477–481. Google Scholar
Weeks,
C.
M., Hauptman, H. A., Chang, C.-S. & Miller, R. (1994). Structure determination by Shake-and-Bake with tangent refinement. ACA Trans. Symp. 30, 153–161. Google Scholar ...
[
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
McCourt, M. P., Ashraf, K ...
[
more
results from section 16.1.10 in volume F]