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The optics and alignment of the divergent-beam laboratory X-ray powder diffractometer and its calibration using NIST standard reference materials
Cline, J.P., Mendenhall, M.H., Black, D., Windover, D. and Henins, A.  International Tables for Crystallography (2019). Vol. H, ch. 3.1, pp. 224-251 [ doi:10.1107/97809553602060000946 ]
... material, and with advanced data-analysis methods, it can provide a wealth of information concerning sample character. Data from these machines, however, are beset by a complex aberration function that can be addressed through calibration with ... materials (SRMs). Laboratory diffractometers can be set up in a range of optical geometries; considered herein are those of ...

Instrument calibration
Cline, J.P., Mendenhall, M.H., Black, D., Windover, D. and Henins, A.  International Tables for Crystallography (2019). Vol. H, Section 3.1.6, pp. 241-250 [ doi:10.1107/97809553602060000946 ]
... calibration procedure has traditionally involved the comparison of measurements from a reference (an SRM) with those of the test instrument. However ... comparison depends upon the data-analysis procedure to be used. A classical calibration, permitting qualitative analyses and lattice-parameter refinement, can ... as per Fig. 3.1.26 . These data are fitted with a polynomial that describes the 2[theta] error correction that ...

Data-analysis methods
Cline, J.P., Mendenhall, M.H., Black, D., Windover, D. and Henins, A.  International Tables for Crystallography (2019). Vol. H, Section 3.1.5, pp. 238-241 [ doi:10.1107/97809553602060000946 ]
... methods serve to parameterize the performance of the instrument in a descriptive manner. The origins of two of the most common ... parameter. These data are plotted versus 2[theta] to yield a [Delta](2[theta]) curve; a typical example is shown in Fig. 3.1.26 . An ...

SRMs, instrumentation and data-collection procedures
Cline, J.P., Mendenhall, M.H., Black, D., Windover, D. and Henins, A.  International Tables for Crystallography (2019). Vol. H, Section 3.1.4, pp. 235-238 [ doi:10.1107/97809553602060000946 ]
... procedures 3.1.4. SRMs, instrumentation and data-collection procedures NIST maintains a suite of SRMs suitable for calibration of powder-diffraction equipment ... that are homogenized, riffled and bottled prior to the certification. A representative sample of the bottle population, typically consisting of ten ... interval of 5 to 7 years. When the stocks of a given certification are exhausted, a new batch of the ...

Instrument alignment
Cline, J.P., Mendenhall, M.H., Black, D., Windover, D. and Henins, A.  International Tables for Crystallography (2019). Vol. H, Section 3.1.3, pp. 230-235 [ doi:10.1107/97809553602060000946 ]
... quality of the instrument alignment may be surprisingly uncritical for a number of basic applications such as lattice-parameter refinement. However ... erroneous result is obtained. The conditions for proper alignment of a Bragg-Brentano diffractometer (see Fig. 3.1.14 ) are: (1) the goniometer ... Figure 3.1.14 | | Diagrammatic explanation of the conditions necessary to realize a properly aligned X-ray powder diffractometer. (2) the X- ...

The instrument profile function
Cline, J.P., Mendenhall, M.H., Black, D., Windover, D. and Henins, A.  International Tables for Crystallography (2019). Vol. H, Section 3.1.2, pp. 224-230 [ doi:10.1107/97809553602060000946 ]
... profile function (IPF) describes the profile shape and displacement as a function of 2[theta] that is the intrinsic instrumental response ... to any data collected with that specific instrument. It is a function of the radiation used, the instrument geometry and configuration, slit sizes etc.2 The basic optical layout of a divergent-beam X-ray powder diffractometer of Bragg-Brentano, ...

Introduction
Cline, J.P., Mendenhall, M.H., Black, D., Windover, D. and Henins, A.  International Tables for Crystallography (2019). Vol. H, Section 3.1.1, p. 224 [ doi:10.1107/97809553602060000946 ]
... ray powder diffractometer has several virtues that have made it a principal characterization device for providing critical data for a range of technical disciplines involving crystalline materials. The specimen is ... typically composed of small crystallites (5-30Ám), which is a form that is suitable for a wide variety of ...

Conclusions
Cline, J.P., Mendenhall, M.H., Black, D., Windover, D. and Henins, A.  International Tables for Crystallography (2019). Vol. H, Section 3.1.7, p. 250 [ doi:10.1107/97809553602060000946 ]
... well known complexity of X-ray powder diffraction line profiles. A divergent-beam laboratory X-ray diffractometer with a conventional layout was used to rigorously examine the full range ... calibration procedure for the first category can be regarded as a `classical' calibration where a correction curve is developed through ...

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