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Empirical space-group frequencies
International Tables for Crystallography (2006). Vol. C, Section 9.7.3, p. 902 [ doi:10.1107/97809553602060000623 ]
... Allen et al., 1991) contains assignments of space groups for a variety of different types of organic compounds. The file can ... it is easy, for example, to trace all structures having a particular space group, or those having a particular space group and a particular number of formula ...
Special positions of given symmetry
International Tables for Crystallography (2006). Vol. C, Section 9.7.2, pp. 900-902 [ doi:10.1107/97809553602060000623 ]
... Donohue (1985), Mighell, Himes & Rodgers (1983), Padmaya, Ramakumar & Viswamitra (1990), Wilson (1988, 1990, 1993b,c), but many of them hardly go beyond recognizing the fact that structures frequently made use of molecular symmetry - Wilson (1988) explicitly chose to ignore it. The early work ...
Relation to structural classes
International Tables for Crystallography (2006). Vol. C, Section 9.7.1.4, p. 900 [ doi:10.1107/97809553602060000623 ]
... 1977, and papers cited there and below) are not an a priori classification of space groups but are a classification of structures within a space-group type in accordance with the number and ...
[more results from section 9.7.1 in volume C]
Statistical properties of the weighted reciprocal lattice
International Tables for Crystallography (2010). Vol. B, ch. 2.1, pp. 195-214 [ doi:10.1107/97809553602060000763 ]
... to the structure-factor function. In Sections 2.1.2 and 2.1.3, a discussion is presented of the average intensity of general reflections ... centrosymmetric. These p.d.f.'s are widely applicable to structures with a large number of not too dissimilar atoms in the asymmetric ... can be satisfactorily treated with the correction-factor p.d.f.'s. A comparison of these two non-ideal methods indicates that ...
Fixed-count timing
International Tables for Crystallography (2006). Vol. C, Section 7.5.4, p. 667 [ doi:10.1107/97809553602060000608 ]
Fixed-count timing 7.5.4. Fixed-count timing The probability of a time t being required to accumulate N counts when the true counting rate is [nu] is given by a [Gamma] distribution (Abramowitz & Stegun, 1964, p. 255): The ratio N/t is a slightly biased estimate of the counting rate [nu]; the ...
Fixed-time counting
International Tables for Crystallography (2006). Vol. C, Section 7.5.3, pp. 666-667 [ doi:10.1107/97809553602060000608 ]
... to be expected when the diffractometer is set to receive a reflection is T, and the `true' number when it is ... given by (7.5.3.3) has been shown to be (Skellam, 1946; Wilson, 1978) where is the hyperbolic Bessel function of the first ... are T - kB and , respectively. The distribution of then involves a generalized Bessel function1 depending on k: for the properties ...
Counting modes
International Tables for Crystallography (2006). Vol. C, Section 7.5.2, p. 666 [ doi:10.1107/97809553602060000608 ]
... both single-crystal and powder diffractometry, the integrated intensity of a reflection is obtained as a difference between a counting rate averaged over a volume of reciprocal space ...
Distributions of intensities of diffraction
International Tables for Crystallography (2006). Vol. C, Section 7.5.1, p. 666 [ doi:10.1107/97809553602060000608 ]
... Intensities of diffraction have two distinct probability distributions: (1) the a priori probability that an arbitrarily chosen reflection of a particular substance will have a particular `true' intensity (R in the notation used below), ...
Statistical fluctuations
International Tables for Crystallography (2006). Vol. C, ch. 7.5, pp. 666-676 [ doi:10.1107/97809553602060000608 ]
... Intensities of diffraction have two distinct probability distributions: (1) the a priori probability that an arbitrarily chosen reflection of a particular substance will have a particular `true' intensity (R in the notation used below), ...
Measurement of refractive index
International Tables for Crystallography (2006). Vol. C, ch. 3.3, pp. 160-161 [ doi:10.1107/97809553602060000587 ]
Chapter 3.3. Measurement of refractive index1 This chapter gives a brief description of immersion media for use in the measurement ... of crystals are complex, and it is planned to include a full account in Volume D . What follows is restricted to a brief description of immersion media for use in the ...
International Tables for Crystallography (2006). Vol. C, Section 9.7.3, p. 902 [ doi:10.1107/97809553602060000623 ]
... Allen et al., 1991) contains assignments of space groups for a variety of different types of organic compounds. The file can ... it is easy, for example, to trace all structures having a particular space group, or those having a particular space group and a particular number of formula ...
Special positions of given symmetry
International Tables for Crystallography (2006). Vol. C, Section 9.7.2, pp. 900-902 [ doi:10.1107/97809553602060000623 ]
... Donohue (1985), Mighell, Himes & Rodgers (1983), Padmaya, Ramakumar & Viswamitra (1990), Wilson (1988, 1990, 1993b,c), but many of them hardly go beyond recognizing the fact that structures frequently made use of molecular symmetry - Wilson (1988) explicitly chose to ignore it. The early work ...
Relation to structural classes
International Tables for Crystallography (2006). Vol. C, Section 9.7.1.4, p. 900 [ doi:10.1107/97809553602060000623 ]
... 1977, and papers cited there and below) are not an a priori classification of space groups but are a classification of structures within a space-group type in accordance with the number and ...
[more results from section 9.7.1 in volume C]
Statistical properties of the weighted reciprocal lattice
International Tables for Crystallography (2010). Vol. B, ch. 2.1, pp. 195-214 [ doi:10.1107/97809553602060000763 ]
... to the structure-factor function. In Sections 2.1.2 and 2.1.3, a discussion is presented of the average intensity of general reflections ... centrosymmetric. These p.d.f.'s are widely applicable to structures with a large number of not too dissimilar atoms in the asymmetric ... can be satisfactorily treated with the correction-factor p.d.f.'s. A comparison of these two non-ideal methods indicates that ...
Fixed-count timing
International Tables for Crystallography (2006). Vol. C, Section 7.5.4, p. 667 [ doi:10.1107/97809553602060000608 ]
Fixed-count timing 7.5.4. Fixed-count timing The probability of a time t being required to accumulate N counts when the true counting rate is [nu] is given by a [Gamma] distribution (Abramowitz & Stegun, 1964, p. 255): The ratio N/t is a slightly biased estimate of the counting rate [nu]; the ...
Fixed-time counting
International Tables for Crystallography (2006). Vol. C, Section 7.5.3, pp. 666-667 [ doi:10.1107/97809553602060000608 ]
... to be expected when the diffractometer is set to receive a reflection is T, and the `true' number when it is ... given by (7.5.3.3) has been shown to be (Skellam, 1946; Wilson, 1978) where is the hyperbolic Bessel function of the first ... are T - kB and , respectively. The distribution of then involves a generalized Bessel function1 depending on k: for the properties ...
Counting modes
International Tables for Crystallography (2006). Vol. C, Section 7.5.2, p. 666 [ doi:10.1107/97809553602060000608 ]
... both single-crystal and powder diffractometry, the integrated intensity of a reflection is obtained as a difference between a counting rate averaged over a volume of reciprocal space ...
Distributions of intensities of diffraction
International Tables for Crystallography (2006). Vol. C, Section 7.5.1, p. 666 [ doi:10.1107/97809553602060000608 ]
... Intensities of diffraction have two distinct probability distributions: (1) the a priori probability that an arbitrarily chosen reflection of a particular substance will have a particular `true' intensity (R in the notation used below), ...
Statistical fluctuations
International Tables for Crystallography (2006). Vol. C, ch. 7.5, pp. 666-676 [ doi:10.1107/97809553602060000608 ]
... Intensities of diffraction have two distinct probability distributions: (1) the a priori probability that an arbitrarily chosen reflection of a particular substance will have a particular `true' intensity (R in the notation used below), ...
Measurement of refractive index
International Tables for Crystallography (2006). Vol. C, ch. 3.3, pp. 160-161 [ doi:10.1107/97809553602060000587 ]
Chapter 3.3. Measurement of refractive index1 This chapter gives a brief description of immersion media for use in the measurement ... of crystals are complex, and it is planned to include a full account in Volume D . What follows is restricted to a brief description of immersion media for use in the ...
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