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Clustering and visualization of powder-diffraction data
Gilmore, C. J., Barr, G. and Dong, W., International Tables for Crystallography (2019). Vol. H, ch. 3.8, pp. 325-343 [ doi:10.1107/97809553602060000953 ]
Comput. 6, 128–143. Google Scholar 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. Appl ...

Using spectroscopic data
Gilmore, C. J., Barr, G. and Dong, W., International Tables for Crystallography (2019). Vol. H, Section 3.8.8, pp. 339-340 [ doi:10.1107/97809553602060000953 ]


Fuzzy clustering
Gilmore, C. J., Barr, G. and Dong, W., International Tables for Crystallography (2019). Vol. H, Section 3.8.5.2, pp. 333-333 [ doi:10.1107/97809553602060000953 ]
diffraction, for example, when mixtures can be involved. It is described in detail by Barr et al. (2004 b). References Barr, G., Dong, W. & Gilmore, C. J. (2004 b). High-throughput powder diffraction. IV. Cluster ...
     [more results from section 3.8.5 in volume H]

Parallel-coordinates plots
Gilmore, C. J., Barr, G. and Dong, W., International Tables for Crystallography (2019). Vol. H, Section 3.8.4.2.1, pp. 330-331 [ doi:10.1107/97809553602060000953 ]
Dong, W. & Gilmore, C. J. (2009). PolySNAP3: a computer program for analysing and visualizing high-throughput data from diffraction and spectroscopic sources. J. Appl. Cryst. 42, 965–974. Google Scholar Inselberg, A. (1985 ...
     [more results from section 3.8.4 in volume H]

Estimating the number of clusters
Gilmore, C. J., Barr, G. and Dong, W., International Tables for Crystallography (2019). Vol. H, Section 3.8.3.2, pp. 327-328 [ doi:10.1107/97809553602060000953 ]
C statistic using sum of squares — γ statistic using complete linkage — CH statistic using complete linkage 5 C statistic using complete linkage — References Barr, G., Dong ...
     [more results from section 3.8.3 in volume H]

Aspirin data with amorphous samples included
Gilmore, C. J., Barr, G. and Dong, W., International Tables for Crystallography (2019). Vol. H, Section 3.8.6.1.1, pp. 335-335 [ doi:10.1107/97809553602060000953 ]

     [more results from section 3.8.6 in volume H]

Combining the correlation coefficients
Gilmore, C. J., Barr, G. and Dong, W., International Tables for Crystallography (2019). Vol. H, Section 3.8.2.3, pp. 325-325 [ doi:10.1107/97809553602060000953 ]

     [more results from section 3.8.2 in volume H]

Quantitative analysis with high-throughput PXRD data without Rietveld refinement
Gilmore, C. J., Barr, G. and Dong, W., International Tables for Crystallography (2019). Vol. H, Section 3.8.7, pp. 337-339 [ doi:10.1107/97809553602060000953 ]
References Cressey, G. & Schofield, P. F. (1996). Rapid whole-pattern profile-stripping method for the quantification of multiphase samples. Powder Diffr. 11, 35–39. Google Scholar Dong, W., Gilmore, C., Barr, G., Dallman, C ...
     [more results from section 3.8.7 in volume H]

Computer software
Gilmore, C. J., Barr, G. and Dong, W., International Tables for Crystallography (2019). Vol. H, Section 3.8.11, pp. 342-342 [ doi:10.1107/97809553602060000953 ]
Jade from Materials Data Inc. (http://www.materialsdata.com) and HighScore from Malvern PANalytical (http://www.panalytical.com/). References Barr, G., Dong, W. & Gilmore, C. J. (2009). PolySNAP3 ...

Introduction
Gilmore, C. J., Barr, G. and Dong, W., International Tables for Crystallography (2019). Vol. H, Section 3.8.1, pp. 325-325 [ doi:10.1107/97809553602060000953 ]
Storey, R., Docherty, R., Higginson, P., Dallman, C., Gilmore, C., Barr, G. & Dong, W. (2004). Automation of solid form screening procedures in the pharmaceutical industry–how to avoid the bottlenecks. Crystallogr. Rev. 10, 45–56. Google Scholar ...

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