The 800-mm sample-to-detector distance will provide flexibility in using various sample environments. Four circle neutron diffraction data were recorded for a single crystal of KMnCl3 cooled to 110 K and 10 K, respectively. Scientists and users at Oak Ridge National Laboratory use neutron scattering (diffraction) to observe and understand how the atomic-level magnetism and structure of materials correlates to their properties, which can lead to the development of new functional materials with highly desirable structures and properties as well as a deeper understand. With a 4-Å wavelength band and 4.4-sr detector coverage, PIONEER will measure a broad reciprocal space at a single sample rotation. PIONEER will leverage the unique Second Target Station source characteristics of high cold-neutron flux and a small beam footprint with the latest advances in neutron optics, neutron spin manipulation, instrument design, and computational techniques to enable rapid data collection despite small-volume samples and weak signals. Time-of-flight resolution will significantly reduce reflection overlap and lower the background noise. It will also provide a polarized beam option to study weak magnetic scattering signals and support a high-resolution mode to probe large unit cells up to 200 Å. It is adapted for work at several of the single-crystal diffractometers of the Spallation Neutron Source and the High Flux Isotope Reactor at the Oak Ridge National Laboratory (ORNL). PIONEER will be capable of measuring tiny crystals (~ 0.001 mm 3) and ultra-thin epitaxial films (~10 nm thicknesses x 25 mm 2 area). Software for the discovery of new crystal structures A new software called QED (Quantitative Electron Diffraction), which has been licensed by Max Planck Innovation, has now been released by HREM Research Inc. A diamond cell optimized for single-crystal neutron diffraction is described. The instrument will provide world-leading capabilities by reducing sample volume requirements for single-crystal neutron diffraction experiments by more than one order of magnitude, allowing detailed atomic-scale structural characterization of materials at the earliest stages of discovery when large crystals are typically unavailable. The effect of mutations of the catalytic dyad residues of SARS-CoV-2 main protease (MProWT) on the thermodynamics of binding of covalent inhibitors comprising nitrile nirmatrelvir (NMV), NBH2, aldehyde (GC373), and ketone (BBH1) warheads to MPro is examined together with room temperature X-ray crystallography. Diffraction: Powder Method - Stanford University. PIONEER is a time-of-flight, single-crystal diffractometer optimized for studying small-volume samples (< 1mm 3) in a range of sample environments, including high/low temperature, magnetic field, and pressure.
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