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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 (http://www.pdb.org/pdb/home/home.do) 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.

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