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    A signal through the noise: accurate determination of hydrogen atom positions in crystal structures and optimisation of Laue neutron diffraction methods by Sackman, GA

    Published 2021
    “…This focuses on:</p> <p>Recommendations for the efficient collection of Laue neutron data, in order to optimise the data set completeness and awarded beam-time; strategic considerations for how to best answer the scientific question(s) at hand in a Laue neutron experiment, whilst planning against future contingencies; improving methods for crystal packing and shipping, particularly for air and moisture sensitive materials; discussing issues arising from ice forming on the crystal during a Laue neutron diffraction experiment, and methods for minimising this problem; more effectively modelling disorder using ring shapes, in the crystallographic refinement package CRYSTALS; providing rationale for Laue neutron specific checkCIF comments.…”
    Thesis
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