The indexing of single-crystal X-ray rotation photographs

Milch, James R.; Minor, T. C.

doi:10.1107/s0021889874010284

Cited by 19 publications

(24 citation statements)

References 2 publications

(2 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The effect of the beam divergence and wavelength spread can be represented by consideration of a nest of the Ewald spheres, rather than a single sphere (Arndt & Wonacott, 1977;Rossmann, Leslie, Abdel-Meguid & Tsukiha, 1979;Greenhough & Helliwell, 1982a,b;Schoenborn, 1983 Milch & Minor (1974), who consider one Ewald sphere but with a certain thickness. A similar concept is introduced by Kabsch (1988), who considers the distance between the reciprocal-lattice point and the surface of the Ewald sphere.…”

Section: Effect Of Beam Divergence and Wavelength Spread On The Reflementioning

confidence: 99%

The φ Extent of the Reflection Range in the Oscillation Method According to the Mosaicity-Cap Model

Bolotovsky¹,

Coppens²

1997

J Appl Cryst

View full text Add to dashboard Cite

New expressions for the ~ extent of the reflection range in the oscillation method are derived by the combination of analytical geometry with the reciprocal-space and Ewald-sphere formalisms. The effect of crystal mosaicity is described by the extension of a reciprocal-lattice point into a cap. The effective cylindrical coordinates of the reciprocal-lattice point, corresponding to the cap points lying in the plane in which the cap has its maximum ~ extent, are introduced. The effect of beam divergence and wavelength spread are accounted for by consideration of a nest of the Ewald spheres. The expressions for intersection of the mosaicity cap with the nest of the Ewald spheres are used to check whether a reflection is fully or partially registered during the crystal oscillations. The presented formulas have been incorporated into software for processing area-detector data. Mosaicity-cap modelLet us introduce a Cartesian coordinate system centered at the origin of the reciprocal space, O: axis OX coincides with the direction of the primary X-ray beam, axis OZ is the rotation axis and axis OY makes the triple of axes right-handed (Fig. 1). As reciprocal-lattice point (1)

show abstract

Section: Effect Of Beam Divergence and Wavelength Spread On The Reflementioning

confidence: 99%

The φ Extent of the Reflection Range in the Oscillation Method According to the Mosaicity-Cap Model

Bolotovsky¹,

Coppens²

1997

J Appl Cryst

View full text Add to dashboard Cite

show abstract

“…where the direction is chosen along the momentum carrying vector, leading to the diffraction condition equation (Milch & Minor, 1974), as discussed later in this paper. A general rotation on the goniometer can be written as the following non-commutative product of three rotations:…”

Section: Rotation Decompositionmentioning

confidence: 99%

“…Part of this calibration is the evaluation of the geometric distortions related to the position-sensitive detector itself. For the discussion in this paper, this type of detector is assumed to be distortion free [see Paciorek et al (1999) and references therein for more details].…”

Section: Introductionmentioning

confidence: 99%

On the geometry of a modern imaging diffractometer

1999

View full text Add to dashboard Cite

show abstract

“…Better estimates of these parameters are then used to index spots at higher resolution according to a method described earlier (Milch & Minor, 1974;Kabsch, 1977). The number of newly indexed reflections is restricted to the number of spots used for refinement.…”

Section: Refinementmentioning

confidence: 99%

Automatic indexing of rotation diffraction patterns

1988

View full text Add to dashboard Cite

A method is described which assigns indices to a set of single-crystal reflections recorded by the rotationoscillation technique using a fixed X-ray wavelength. It is assumed that the space group and approximate unit-cell parameters are known. The unknown crystal orientation is determined directly from the observed diffraction pattern of one or several oscillation data records. A local indexing procedure is described which tolerates large initial errors in the parameters controlling the diffraction pattern. These parameters are refined subsequently, thereby satisfying the constraints imposed by the space-group symmetry.

show abstract

The indexing of single-crystal X-ray rotation photographs

Cited by 19 publications

References 2 publications

The φ Extent of the Reflection Range in the Oscillation Method According to the Mosaicity-Cap Model

The φ Extent of the Reflection Range in the Oscillation Method According to the Mosaicity-Cap Model

On the geometry of a modern imaging diffractometer

Automatic indexing of rotation diffraction patterns

Contact Info

Product

Resources

About