An example combining PXRD and Raman data
Gilmore, C. J.,
Barr, G. and
Dong, W.,
International Tables for Crystallography
(2019).
Vol. H,
Section 3.8.9.1,
pp. 342-342
[ doi:10.1107/97809553602060000953 ]
little usable signal.
References
Barr, G., Cunningham, G., Dong, W.,
Gilmore,
C.
J. & Kojima, T. (2009). High-throughput powder diffraction V: the use of Raman spectroscopy with and without X-ray powder diffraction data. J ...
[
more
results from section 3.8.9 in volume H]
Quality control
Gilmore, C. J.,
Barr, G. and
Dong, W.,
International Tables for Crystallography
(2019).
Vol. H,
Section 3.8.10,
pp. 342-342
[ doi:10.1107/97809553602060000953 ]
far from the cluster of reference measurements.
References
Gilmore,
C.
J., Barr, G. & Paisley, W. (2004). High-throughput powder diffraction. I. A new approach to qualitative and quantitative powder diffraction ...
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 ]
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 ]
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 ]
[
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 ]
[
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]
