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 Results for DC.creator="C." AND DC.creator="J." AND DC.creator="Gilmore"   page 2 of 4 pages.
`Multisolution' methods and trial structures
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 16.1.3.2, p. 417 [ doi:10.1107/97809553602060000850 ]
... Cryst. D58, 1772-1779. Baggio, R., Woolfson, M. M., Declercq, J.-P. & Germain, G. (1978). On the application of phase ... relationships to complex structures. Acta Cryst. B24, 91-96. Yao, J.-X. (1981). On the application of phase relationships to ...
     [more results from section 16.1.3 in volume F]

Difference intensities and direct methods
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 16.1.2.3, p. 416 [ doi:10.1107/97809553602060000850 ]
... should be more robust than traditional methods. References Morris, R. J., Blanc, E. & Bricogne, G. (2004). On the interpretation and ...
     [more results from section 16.1.2 in volume F]

Summary
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 16.1.1.3, pp. 414-415 [ doi:10.1107/97809553602060000850 ]
... V., Witty, M., Smith, A. G., Blundell, T. L. & Abell, C. (2003). Structure of E. coli ketopantoate hydroxymethyl transferase complexed ... multiwavelength anomalous diffraction methods. Methods Enzymol. 276, 472-494. Giacovazzo, C. (2008). Direct methods. In International Tables for Crystallography, Vol. ... R., DeTitta, G. T., Jones, R., Langs, D. A., Weeks, C. M. & Hauptman, H. A. (1993). On the application ...
     [more results from section 16.1.1 in volume F]

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, p. 429 [ doi:10.1107/97809553602060000850 ]
... determined by direct methods. Acta Cryst. D56, 1401-1407. Lehmann, C., Debreczeni, J. É., Bunkcóczi, G., Dauter, M., Dauter, Z., Vértesy, L. ... 86, 1478-1497. Liu, Q., Huang, Q., Teng, M., Weeks, C. M., Jelsch, C., Zhang, R. & Niu, L. (2003). ...

Clustering and visualization of powder-diffraction data
Gilmore, C. J., Barr, G. and Dong, W.  International Tables for Crystallography (2018). Vol. H, ch. 3.8, pp. 325-343 [ doi:10.1107/97809553602060000953 ]
... s rank order coefficient | | Consider two diffraction patterns, i and j, each with n measured points n((x1, y1), , (xn, yn ... discrepancies in the region 15-35°. In Fig. 3.8.1 (c) r = 0.66 and R = 0.22; in this case the Spearman ... a) r = 0.93, R = 0.68; (b) r = 0.79, R = 0.90; (c) r = 0.66, R = 0.22. 3.8.2.3. Combining the correlation coefficients | | ...

Quality control
Gilmore, C. J., Barr, G. and Dong, W.  International Tables for Crystallography (2018). Vol. H, Section 3.8.10, p. 342 [ doi:10.1107/97809553602060000953 ]
Quality control 3.8.10. Quality control Quality control (Gilmore, Barr & Paisley, 2009 ) is designed for situations where the stability ... sample unacceptably far from the cluster of reference measurements. References Gilmore, C. J., Barr, G. & Paisley, W. (2004). High-throughput ...

An example combining PXRD and Raman data
Gilmore, C. J., Barr, G. and Dong, W.  International Tables for Crystallography (2018). Vol. H, Section 3.8.9.1, p. 342 [ doi:10.1107/97809553602060000953 ]
... but the rest of the spheres are diffuse and intermingled. (c) The dendrogram derived from clustering 48 Raman spectra of sulfathiazole ... 45-2 superimposed. They are primarily background noise. Fig. 3.8.16 (c) shows the clustering from the Raman spectra. The results are ... little usable signal. References Barr, G., Cunningham, G., Dong, W., Gilmore, C. J. & Kojima, T. (2009). High-throughput powder ...
     [more results from section 3.8.9 in volume H]

Using spectroscopic data
Gilmore, C. J., Barr, G. and Dong, W.  International Tables for Crystallography (2018). Vol. H, Section 3.8.8, pp. 339-340 [ doi:10.1107/97809553602060000953 ]
... study of transformations occurring in materials at non-ambient conditions. J. Appl. Cryst. 40, 684-693.GoogleScholar Kojima, T., Onoue, S., Murase ... Pharm. Res. 23, 806-812.GoogleScholar Mehrens, S. M., Kale, U. J. & Qu, X. (2005). Statistical analysis of differences in the Raman spectra of polymorphs. J. Pharm. Sci. 94, 1354-1367.GoogleScholar O'Brien, L. E., ...

Example: inorganic mixtures
Gilmore, C. J., Barr, G. and Dong, W.  International Tables for Crystallography (2018). Vol. H, Section 3.8.7.1, pp. 338-339 [ doi:10.1107/97809553602060000953 ]
... samples, see Dong et al. (2008 ). References Dong, W., Gilmore, C., Barr, G., Dallman, C., Feeder, N. & Terry, S. (2008). A quick method ...
     [more results from section 3.8.7 in volume H]

Phase transitions in ammonium nitrate
Gilmore, C. J., Barr, G. and Dong, W.  International Tables for Crystallography (2018). Vol. H, Section 3.8.6.2, pp. 335-337 [ doi:10.1107/97809553602060000953 ]
... the orthorhombic space group Pmmm with a = 5.745, b = 5.438, c = 4.942Å and Z = 2; from 305 to 357K it crystallizes in Pbnm with a = 7.14, b = 7.65, c = 5.83Å with Z = 4; between 357 and 398K it crystallizes in the tetragonal space group with a = 5.719, c = 4.932Å, Z = 2, and above 398K it transforms to ...
     [more results from section 3.8.6 in volume H]

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