NMRExampleData.jl

Example NMR datasets for NMRTools.jl, NMRAnalysis.jl and NMRScreen.jl. Each dataset is downloaded the first time you use it. The Catalogue lists them all.

Load a dataset

example returns the path of a dataset. Pass it to the function you would use for your own data:

using NMRTools

spec = loadnmr(example("2d_hn_ubq"))
fid = loadfid(example("2d_hn_ubq"))

A series returns a vector of paths, so loadnmr(example("titration2d_fir_nbox")) gives a vector of spectra. Where an analysis takes its data in groups, unpack them in the order the analysis takes them:

using NMRAnalysis

decay, buildup = example("ccr2d_calr")
ccr2d(decay, buildup; T=0.04)

NMRTools, NMRAnalysis and NMRScreen export these functions, so you don't need to load NMRExampleData yourself.

Find a dataset

Call example() to choose a dataset from a menu, or examples() to list their names. exampleinfo describes a dataset without downloading it.

You can shorten a name to the start of any part of it: "hetnoe" finds hetnoe2d_calr. If a shortened name matches several datasets, you get the one added first. Use full names in code that other people will run.

Use other formats

Some datasets also hold their data as nmrPipe or UCSF (Sparky) files. Ask for a format by name:

loadnmr(example("2d_hn_ubq", :nmrpipe))
examples(:ucsf)                      # the datasets with UCSF data

Credit and licences

The first time you use a dataset in a session, its credit, citation and licence are shown. Most datasets are shared under CC BY 4.0. A licence of "None" means none has been granted: ask the people credited before you use those data for anything beyond trying out the software.

To share your own data, see Adding data.