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Add nmrglue extractor #33

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Jun 18, 2025
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43 changes: 43 additions & 0 deletions yard/data/extractors/nmrglue.yml
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---
id: >-
nmrglue
name: >-
nmrglue
description: >-
nmrglue is a module for working with NMR data in Python. When used with the numpy,
scipy, and matplotlib packages nmrglue provides a robust interpreted environment
for processing, analyzing, and inspecting NMR data.
supported_filetypes:
- id: jcamp-dx
template:
input_type: jcampdx
description: >-
Note: Only 1D NMR data is supported, not the full JCAMP-DX standard. Many
other NMR data file formats are supported.
Comment on lines +10 to +16
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Note: added in #32.

license:
spdx: BSD-3-Clause
subject:
- nuclear magnetic resonance
- nuclear magnetic resonance spectrometry
citations:
- uri: doi:10.1007/s10858-013-9718-x
creators:
- J. J. Helmus
- C. P. Jaroniec
title: 'nmrglue: An open source Python package for the analysis of multidimensional
NMR data'
type: article
- uri: https://github.com/jjhelmus/nmrglue
title: nmrglue github repository
type: software
source_repository: https://github.com/jjhelmus/nmrglue
documentation: https://nmrglue.readthedocs.io
usage:
- method: python
setup: nmrglue
command: nmrglue.fileio.{{ input_type }}.read
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Is yadg the only package that bothered with a command-line API?

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Imagine so, presumably because you embed some provenance and traceability in your output format, where most other codes don't

installation:
- method: pip
packages:
- nmrglue ~= 0.11
requires_python: '>=3.6'
3 changes: 3 additions & 0 deletions yard/data/lfs/jcamp-dx/.gitattributes
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3 changes: 3 additions & 0 deletions yard/data/lfs/jcamp-dx/13c.jdx
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