view article

Figure 3
The description of diffraction geometry for the rotation method using dxtbx models. A monochromatic X-ray beam is represented by the wavevector [{\bf s}_0], which intersects a sample rotation axis, given by the unit vector [{\bf e}], at the origin of the reciprocal laboratory coordinate system. An abstract detector plane k is described in the real space laboratory coordinate system with an origin vector [{\bf d}^{k_0}] and a pair of orthogonal basis vectors [\{{\bf d}^{k_x}, {\bf d}^{k_y}\}]. The detector model provides a pair of limits, limx and limy, forming a bounded rectangular panel within the plane. A crystal model complements the dxtbx geometry models, with its setting expressed in a φ-axis frame (aligned to the reciprocal laboratory frame at a rotation angle of φ = 0°) by the setting matrix [{\bf UB}], following the Protein Data Bank ( convention. Diffraction is represented by the wavevector [{\bf s}], which may be extended to the point (X, Y) at which it meets the detector panel, in the panel's coordinate frame.

Journal logoJOURNAL OF
ISSN: 1600-5767
Follow J. Appl. Cryst.
Sign up for e-alerts
Follow J. Appl. Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds