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Quick Start

Installation

  1. Install Julia from julialang.org if you haven't already.

  2. Add NMRAnalysis.jl from the Julia package manager:

    julia> ]
pkg> add NMRAnalysis

    Julia will download and compile NMRAnalysis and its dependencies. This takes a few minutes the first time.

  3. Load the package:

    using NMRAnalysis

    A startup message will list all available analysis functions.

Basic Workflow

Most analyses follow the same pattern: navigate to your data directory, then call the appropriate function.

using NMRAnalysis

cd("/path/to/your/nmr/data")

Get help on any function with ?:

?relaxation1d
?relaxation2d
?r1rho

Examples

1D Relaxation (R₁ / R₂)

relaxation1d("11")                          # delays from the vdlist or annotations
relaxation1d("11"; tau=[0.01, 0.05, 0.1])   # or given explicitly

You are asked about anything that cannot be read from the experiment, and a window then opens in which you position the integration region and watch the fit. The same pattern applies to diffusion1d, tract, calibration1d and kinetics1d. See 1D Experiments.

¹⁹F R1ρ Relaxation Dispersion

r1rho()                       # select experiment folder interactively
r1rho("11")                   # specify experiment directly
r1rho("11"; minvSL=500)       # filter low spin-lock powers

See the R1ρ Tutorial for a step-by-step guide.

2D Relaxation (T1 / T2)

relaxation2d(
    ["11/pdata/1", "12/pdata/1", "13/pdata/1", "14/pdata/1"],
    [0.010, 0.030, 0.060, 0.100]   # delays in seconds
)

An interactive graphical window opens for peak picking and fitting. See Relaxation (T1/T2) for details.

Next Steps

  • 1D Experiments - the shared analysis window, and a guide for each 1D experiment type
  • 2D Experiments — interactive GUI reference and per-experiment guides
  • Tutorials — step-by-step worked examples

Getting Help