McStas neutron instrument simulations

1/7/26 grid = { "qx": (-1.5, 1.5, 0.05), "qy": (-1.5, 1.5, 0.05), "qz": (-0.5, 2.5, 0.05), "en": (-2, 2, 0.01), } data4d, plot_coords, plot_title = mdnorm(events, grid, norm_factors, rrm=rrm) mag_q = sc.sqrt( sc.midpoints(data4d.coords["qx"]) ** 2 + sc.midpoints(data4d.coords["qy"]) ** 2 + sc.midpoints(data4d.coords["qz"]) ** 2 ) data4d.coords["mag_q"] = mag_q q_bins = sc.linspace("mag_q", 0.5, 2.5, num=50, unit="1/Å") rebinned = data4d.bin(mag_q=q_bins) data_rebinned = rebinned.bins.nanmean() display(data_rebinned) fig,ax = plt.subplots(figsize = (6,6)) data_rebinned.plot(ax=ax) plt.savefig(f'{run_folder}.pdf', bbox_inches = 'tight') data_rebinned.save_hdf5(to_filename) 09:02 Differences between document 1 (June 02) and document 2 (June 16): iso_samp component (Incoherent sample): yheight: 0.004 → 0.04 (10× taller) Added order = 1 parameter (restricts to single scattering) New component added: beamstop_1 (Beamstop, xwidth=0.074, yheight=0.074) at z=3.49 relative to sample — absent in doc 1 Banana_1 (Monitor_nD) options string: theta bins: 221 → 384 theta limits: [5, 140] → [-40, 140] y bins: 136 → 256