mrsimulator
mrsimulator copied to clipboard
Documentation - 2D experiment examples such as COSY and INADEQUATE
The following method (with DelayEvent objects) simulates an INADEQUATE spectrum. The variable delay here is delay=1/(4J) where J is the J-coupling strength in Hz
inadequate = Method(
channels=["1H"],
spectral_dimensions=[
SpectralDimension(
count=1024, spectral_width=8.0e3, reference_offset=0,
label="2Q frequency",
events=[
# Only allow J-coupling evolution
DelayEvent(duration=2 * delay, freq_contrib=["J"], transition_queries=[{"ch1": {"P": [-1]}}]),
MixingEvent(query={"ch1": {"angle": np.pi / 2, "phase": 0.0 }}),
SpectralEvent(fraction=1.0, transition_queries=[{"ch1": {"P": [-1, -1]}}]),
]
),
SpectralDimension(
count=1024, spectral_width=4.0e3, reference_offset=0,
label="1Q frequency",
events=[
MixingEvent(query={"ch1": {"angle": np.pi / 2, "phase": np.pi / 2 }}),
SpectralEvent(fraction=1.0, transition_queries=[{"ch1": {"P": [-1]}}]),
]
),
]
)