API: NMRAnalysis

Top-level entry points (diffusion1d, relaxation1d, tract, r1rho, exchange1d, and the 2D analysis functions re-exported from GUI2D). See the sidebar for each submodule's own internal API.

NMRAnalysis.isexpt — Method

isexpt(directory) -> Bool

Check if the given directory contains an NMR experiment by verifying the existence of a 'pdata/1/title' file, which is typical for Bruker NMR data structure.

Return true if the directory has the expected title file structure, false otherwise.

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NMRAnalysis.pick_expt_folders — Method

pick_expt_folders(directory_path; experiment_type_filter="") -> Vector{String}

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NMRAnalysis.select_expts — Method

select_expts(directory_path=""; experiment_type_filter="")

Interactively select NMR experiment folders from a given directory path.

Arguments

directory_path::String: Path to start folder selection from. If empty, uses last selected folder or current directory.
experiment_type_filter: Optional filter to apply for experiment types.

Returns

Vector{String}: Array of selected experiment folder paths. Returns empty array if no selection is made.

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NMRAnalysis.viscosity — Method

viscosity(solvent, T)

Calculate the viscosity of a solvent (in mPa s) at a given temperature.

Arguments

solvent: Should be either :h2o or :d2o.
T: The temperature (in K) at which the viscosity is calculated.

Notes

The calculation is based on the formula proposed by Cho et al in the paper "J Phys Chem B (1999) 103 1991-1994".

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