Elements can be assigned to intensity centers, with heavier elements associated with higher intensities | Adjustment of the X, Y and Z orthogonal directions allows centering of the crystal within the X-ray beam |
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Data Collection, Results and Presentation Data Collection Once the crystal is centered, a preliminary rotational image is often collected to screen the sample quality and to select parameters for later steps | Filtering, by foils or crystal monochrometers, is required to produce monochromatic X-rays needed for diffraction |
After the structure is solved, it is further refined using least-squares techniques.
19Sample Centering The goniometer head and sample are then affixed to the diffractometer | Samples are mounted on thin glass fibers which are attached to brass pins and mounted onto goniometer heads |
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An automatic collection routine can then be used to collect a preliminary set of frames for determination of the unit cell | Single-crystal X-ray Diffraction is a non-destructive analytical technique which provides detailed information about the internal lattice of crystalline substances, including unit cell dimensions, bond-lengths, bond-angles, and details of site-ordering |
the phenomenon exhibited by wave fronts that, passing the edge of an opaque body, are modulated, thereby causing a redistribution of energy within the front: it is detectable in light waves by the presence of a pattern of closely spaced dark and light bands diffraction pattern at the edge of a shadow.