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Classification and use of powder diffraction data
Toby, B. H.  International Tables for Crystallography (2006). Vol. G, ch. 3.3, pp. 117-130 [ doi:10.1107/97809553602060000735 ]
... experimental instrument 3.3.4.4 PD_MEAS Raw measurements and instrumental settings (b) Analysis 3.3.5.1 PD_PROC Processed settings 3.3.5.2 PD_CALC Simulated ... items in these categories are as follows: (a) PD_CHAR (b) PD_PREP The PD_CHAR data items describe information known ... items in these categories are as follows: (a) PD_CALIB (b) PD_CALIBRATION (c) PD_INSTR (d) Part of PD_ ...

Classification and use of powder diffraction data
Toby, B. H.  International Tables for Crystallography (2006). Vol. G, ch. 3.3, pp. 117-130 [ doi:10.1107/97809553602060000735 ]
... 3.3.4.4(a)) PD_CALC group (3.3.5.2) PD_MEAS_INFO (3.3.4.4(b)) PD_CALC (3.3.5.2(b)) PD_MEAS_METHOD (3.3.4.4(c)) PD_DATA (part of category ... 3.3.5.3(a)) PD_CALIB (3.3.4.3(a)) PD_PEAK_METHOD (3.3.5.3(b)) PD_CALIBRATION (3.3.4.3(b)) PD_PHASE group (3.3.6.1) PD_ ...

Phase identification and indexing
Toby, B. H.  International Tables for Crystallography (2006). Vol. G, Section 3.3.10.2, pp. 129-130 [ doi:10.1107/97809553602060000735 ]
Phase identification and indexing 3.3.10.2. Phase identification and indexing For phase identification, a CIF will include unprocessed measurements, as described in Section 3.3.8. Sample characterization information, for example chemical analysis information, can often aid phase determination. Characterization information is described in Section 3.3.4.1. Similarly, sample preparation information can also be quite ...
     [more results from section 3.3.10 in volume G]

Multiple sets of measurements and phases
Toby, B. H.  International Tables for Crystallography (2006). Vol. G, Section 3.3.9.4, p. 129 [ doi:10.1107/97809553602060000735 ]
... shown in the CIF in Example 3.3.7.1. The program GSAS2CIF (Toby et al., 2003) can create CIFs for multiple sets of measurements and phases. References Toby, B. H., Von Dreele, R. B. & Larson, A. C. (2003) ...
     [more results from section 3.3.9 in volume G]

Recording detector livetime
Toby, B. H.  International Tables for Crystallography (2006). Vol. G, Section 3.3.8.10, p. 128 [ doi:10.1107/97809553602060000735 ]
Recording detector livetime 3.3.8.10. Recording detector livetime The detector deadtime is often more a function of the counting electronics than of the intrinsic properties of the detector. In these circumstances, the counting circuit may provide a gating signal that indicates when the electronics are processing an event versus when the circuit ...
     [more results from section 3.3.8 in volume G]

Use of block pointers
Toby, B. H.  International Tables for Crystallography (2006). Vol. G, Section 3.3.7.1, pp. 124-126 [ doi:10.1107/97809553602060000735 ]
Use of block pointers 3.3.7.1. Use of block pointers More complex link structures will be needed when multiple data sets and multiple phases occur together. Example 3.3.7.1 outlines a pdCIF reporting the results of a TOF powder-diffraction study of a physical mixture of nickel and silicon powders in which two ...
     [more results from section 3.3.7 in volume G]

Table of phases
Toby, B. H.  International Tables for Crystallography (2006). Vol. G, Section 3.3.6.1, p. 123 [ doi:10.1107/97809553602060000735 ]
Table of phases 3.3.6.1. Table of phases The data items in this category are as follows: PD_PHASE The bullet () indicates a category key. When a sample contains more than one phase, the PD_PHASE data items are used to create a table describing the phases present. For example, the name ...
     [more results from section 3.3.6 in volume G]

Reflection assignments and intensities
Toby, B. H.  International Tables for Crystallography (2006). Vol. G, Section 3.3.5.4, pp. 122-123 [ doi:10.1107/97809553602060000735 ]
... Section 3.2.2.2 and Chapter 4.1 ). For example, _refln_index_h, _refln_index_k and _refln_index_l will be used ... this would be very useful. References Le Bail, A., Duroy, H. & Fourquet, J. L. (1988). Ab initio structure determination of ... powder diffraction scans. J. Appl. Cryst. 14, 357-361. Rietveld, H. M. (1967). Line profiles of neutron powder-diffraction ...
     [more results from section 3.3.5 in volume G]

Observations and measurement conditions
Toby, B. H.  International Tables for Crystallography (2006). Vol. G, Section 3.3.4.4, pp. 120-121 [ doi:10.1107/97809553602060000735 ]
... these categories are as follows: (a) Part of PD_DATA (b) PD_MEAS_INFO (c) PD_MEAS_METHOD The arrow () is ...
     [more results from section 3.3.4 in volume G]

pdCIF dictionary sections
Toby, B. H.  International Tables for Crystallography (2006). Vol. G, Section 3.3.3, pp. 117-118 [ doi:10.1107/97809553602060000735 ]
... experimental instrument 3.3.4.4 PD_MEAS Raw measurements and instrumental settings (b) Analysis 3.3.5.1 PD_PROC Processed settings 3.3.5.2 PD_CALC Simulated ...

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