NMRSIM(E)

NMRSIM(E) is a program designed to calculate theoretical Nuclear Magnetic Resonance (NMR) spectra for compounds containing spin one-half nuclei like hydrogen, fluorine, and carbon-13. Users interactively input chemical shifts and coupling constants via a Teletype, with options for continuous adjustment of parameters and offsets to enhance resolution. The program displays calculated line spectra on a VR12 scope, complete with calibration points, and can output data to LINCtape, high or low-speed paper tape punch, and the Teletype. A key feature is the ability to merge multiple spectra, allowing for the simulation of complex spin systems or mixtures of compounds. The software requires a PDP-12A system equipped with a KW12A real-time clock, an MC12 4K Memory Extension, and the EAE option, and is loaded from a LAP6-DIAL tape.