Crate nmr_schedule 

This crate implements algorithms for Non-Uniform Sampling in NMR spectroscopy.

This crate primarily implements algorithms for generating and filtering sampling schedules. It includes various base schedules along with various post-processing filters for schedules.

Schedulers implemented:

• Quantiles
• Poisson Gap
• Random
• Averaging

Filters implemented:

• Backfill
• Seed searching
• Thue-Morse filter
• PSF polisher

This library currently only supports 1D schedules, however there are plans to support higher dimensional schedules in the future and the architecture is already generic over dimension.

Examples

// Generate a 64x256 schedule with Quantiles with QSin weighting, 8 points backfill, and TMPF filtering
let sched = Quantiles::new(|len| qsin(len, QSinBias::Low, 3.))
    .fill_corners(|_, _| [8, 1]) // Any function of the count and length of the schedule
    .tm_filter()
    .polish_psf(0.1, 0.32, DisplayMode::Abs)
    .generate(64, Ix1(256));

println!("{sched}");

// Apply TMPF filtering to an existing schedule
let sched_encoded = "0\n1\n2\n5\n7\n9\n20";
let sched =
    Schedule::decode(sched_encoded, EncodingType::ZeroBased, |dim| Ok(dim)).unwrap();

let filtered =
    PSFPolisher::new(0.1, 0.32, DisplayMode::Abs).filter(TMFilter::new().filter(sched));

let encoded = filtered.encode(EncodingType::ZeroBased);
println!("{encoded}");

Re-exports

pub use rustfft;

pub use ndarray;

Modules

errors

Errors that can be generated by the crate

generators

Implements various algorithms for generating new schedules.

modifiers

Contains various modifiers and filters that can be applied to generators.

pdf

Implements Probability Distribution Functions

point_spread

Implements the Point Spread Function

reconstruction

Algorithms for reconstructing NMR signals.

terminal_vizterminal-viz

Plotting and visualization in the terminal. Requires the terminal-viz feature to be enabled.

Macros

modifier

Creates boilerplate (including a builder extension trait) for modifiers

Structs

Schedule

Represents a sampling schedule. Schedules are represented as a list of booleans, where true means to take the sample at the position of the index and false means to not take the sample.

Enums

DisplayMode

Represents whether a spectrum is meant to be displayed as the real part or as the absolute value

EncodingType

When saving or loading a schedule, would the first sample be represented by zero or one?

Traits

ComplexSequence

An extension trait adding utility functions to lists of complex numbers.