The probabilistic formulae [Giacovazzo, Siliqi & Fernández-Castaño (1999). Acta Cryst. A55, 512-524] relating standard and half-integral index reflections are modified for practical applications. The experimental tests prove the reliability of the probabilistic relationships. The approach is further developed to explore whether the moduli of the half-integral index reflections can be evaluated in the absence of phase information; i.e. by exploiting the moduli of the standard reflections only. The final formulae indicate that estimates can be obtained, even though the reliability factor is a constant.
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http://dx.doi.org/10.1107/s0108767398014809 | DOI Listing |
Acta Crystallogr A
November 1999
Dipartimento Geomineralogico, Università di Bari, Campus Universitario, Via Orabona 4, 70125 Bari, Italy.
The probabilistic formulas relating standard and mixed type reflections (these last show integral and half-integral indices) are derived. It is shown that probabilistic estimates can be obtained by using particular sections of the three-dimensional reciprocal space. The concept of structure invariant is extended to define the wider class of structure quasi-invariant.
View Article and Find Full Text PDFActa Crystallogr A
May 1999
IRMEC c/o Dipartimento Geomineralogico, Università di Bari, Campus Universitario, Via Orabona 4, 70125 Bari, Italy.
The probabilistic formulae [Giacovazzo, Siliqi & Fernández-Castaño (1999). Acta Cryst. A55, 512-524] relating standard and half-integral index reflections are modified for practical applications.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!