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X-ray diffraction from non-crystalline materials: the Debye model
Bates, S.  International Tables for Crystallography (2019). Vol. H, ch. 5.6, pp. 617-648 [ doi:10.1107/97809553602060000971 ]
... halos observed for non-crystalline materials do not follow Bragg's law and that the fundamental local distances in a non ... of a full-pattern fitting method have been presented previously (Bates et al., 2013 ); in this section, the same data will ... water content; the reader is referred to the original reference (Bates et al., 2013 ) for discussion of a more quantitative ...

Debye diffraction models for larger molecular ensembles
Bates, S.  International Tables for Crystallography (2019). Vol. H, Section 5.6.14, pp. 645-646 [ doi:10.1107/97809553602060000971 ]
Debye diffraction models for larger molecular ensembles 5.6.14. Debye diffraction models for larger molecular ensembles The investigation of more extensive local ordering beyond what can be described by a spherical core-shell model will often require the simulation of total diffraction patterns from larger-scale molecular models. As with all total ...

Practical application of the effective lattice function determination
Bates, S.  International Tables for Crystallography (2019). Vol. H, Section 5.6.13, pp. 642-645 [ doi:10.1107/97809553602060000971 ]
Practical application of the effective lattice function determination 5.6.13. Practical application of the effective lattice function determination The glassy phase of indomethacin presents an instructive example of the step-by-step procedure used to determine an effective lattice function from measured data. The first prerequisite is that the measured non-crystalline ...

Steps towards an effective lattice model of high-density randomly packed materials
Bates, S.  International Tables for Crystallography (2019). Vol. H, Section 5.6.12, pp. 638-642 [ doi:10.1107/97809553602060000971 ]
... Ga, CCl4). Phys. Z. 33, 593-604.GoogleScholar Pedersen, J. S. (1997). Analysis of small-angle scattering data from colloids ...

Universal appearance of non-crystalline powder patterns
Bates, S.  International Tables for Crystallography (2019). Vol. H, Section 5.6.11, pp. 635-638 [ doi:10.1107/97809553602060000971 ]
... von Gitterzellen. Acta Cryst. 4, 520-530.GoogleScholar Hosemann, R. & Bagchi, S. N. (1962). Direct Analysis of Diffraction by Matter. Amsterdam ...

Application of the Debye normalization procedure
Bates, S.  International Tables for Crystallography (2019). Vol. H, Section 5.6.10, pp. 632-635 [ doi:10.1107/97809553602060000971 ]
... As a second comparative example, the glassy forms of (R,S)-ibuprofen (R + S racemic mixture) and S-ibuprofen were studied. The two crystal forms have very ...

The full Debye normalization procedure
Bates, S.  International Tables for Crystallography (2019). Vol. H, Section 5.6.9, pp. 631-632 [ doi:10.1107/97809553602060000971 ]
... its relationship with the independent limit is related to Vainshtein's conservation of diffraction intensity, which also predicts that the total ...

Correction for the instrumental intensity response
Bates, S.  International Tables for Crystallography (2019). Vol. H, Section 5.6.8, pp. 627-631 [ doi:10.1107/97809553602060000971 ]
... the measurement volume in diffraction space intersects with the sample's diffracted intensity distribution. The impact of passive X-ray optical ... 1962.GoogleScholar Kavanagh, A., McConvey, I., McCabe, J., Blade, H. & Cosgrove, S. (2012). Amorphous pharmaceuticals - developing amorphous pharmaceuticals: opportunity and necessity. ... Powder Diffraction: Theory and Practice, edited by R. E. Dinnebier & S. J. L. Billinge. Cambridge: RCS Publishing.GoogleScholar International Tables for ...

Application of the Debye normalization to semi-quantitative analysis
Bates, S.  International Tables for Crystallography (2019). Vol. H, Section 5.6.7, pp. 625-627 [ doi:10.1107/97809553602060000971 ]
... of a full-pattern fitting method have been presented previously (Bates et al., 2013 ); in this section, the same data will ... water content; the reader is referred to the original reference (Bates et al., 2013 ) for discussion of a more quantitative method. ... non-crystalline/glassy structure at the per cent level. References Bates, S., Jonaitis, D. & Nail, S. (2013). Sucrose lyophiles: ...

Background removal, intensity normalization and choice of X-ray optics
Bates, S.  International Tables for Crystallography (2019). Vol. H, Section 5.6.6, pp. 622-625 [ doi:10.1107/97809553602060000971 ]
Background removal, intensity normalization and choice of X-ray optics 5.6.6. Background removal, intensity normalization and choice of X-ray optics The analysis of non-crystalline powder patterns will typically require a different set of analytical tools than those employed for crystalline material analysis. The continuous nature of non-crystalline powder ...

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