diff --git a/yard/data/extractors/nmrglue.yml b/yard/data/extractors/nmrglue.yml new file mode 100644 index 0000000..4e131b5 --- /dev/null +++ b/yard/data/extractors/nmrglue.yml @@ -0,0 +1,43 @@ +--- +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. +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 +installation: + - method: pip + packages: + - nmrglue ~= 0.11 + requires_python: '>=3.6' diff --git a/yard/data/lfs/jcamp-dx/.gitattributes b/yard/data/lfs/jcamp-dx/.gitattributes new file mode 100644 index 0000000..a5898bd --- /dev/null +++ b/yard/data/lfs/jcamp-dx/.gitattributes @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:78c52213c65bef66916d366f89c8060db5baff8db795e8d522a4924fe53073e8 +size 44 diff --git a/yard/data/lfs/jcamp-dx/13c.jdx b/yard/data/lfs/jcamp-dx/13c.jdx new file mode 100644 index 0000000..1ad9b8b --- /dev/null +++ b/yard/data/lfs/jcamp-dx/13c.jdx @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:67a886850d8eb72073966026464361a58f411f5a91ae0991532925b41310f2e5 +size 248042