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Figure 3
Overall diffracted intensities of reflections hkl for l = 3n, 3n + 1 and 3n + 2 as a function of temperature. Indexing is based on the low-temperature super-cell matrix and temperatures given are the instrumental setting temperatures. The sum of the averaged intensities within the three classes has been normalized to 1000. (a) KappaCCD data; (b) SMART APEX data. Note that a calibration of the Bruker Kryoflex showed a 1.0–2.0 K gap, compared with the actual temperature at the crystal (see §2.2[link]).

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