From ebfca6f5998439cead78e10d8f67ed5494cd96d8 Mon Sep 17 00:00:00 2001
From: Matthew Evans <git@ml-evs.science>
Date: Tue, 20 May 2025 12:56:38 +0100
Subject: [PATCH 1/4] Add entry for JCAMP-DX

---
 yard/data/filetypes/jcamp-dx.yml | 18 ++++++++++++++++++
 1 file changed, 18 insertions(+)
 create mode 100644 yard/data/filetypes/jcamp-dx.yml

diff --git a/yard/data/filetypes/jcamp-dx.yml b/yard/data/filetypes/jcamp-dx.yml
new file mode 100644
index 0000000..871841b
--- /dev/null
+++ b/yard/data/filetypes/jcamp-dx.yml
@@ -0,0 +1,18 @@
+---
+id: >-
+    jcamp-dx
+name: >-
+    JCAMP-DX
+description: >-
+    An IUPAC-endorsed standard for the representation of spectroscopic data and metadata
+    in a textual format with blocks of compressed numerical data encoded as ASCII.
+    It is available as output from several spectroscopic software packages.
+associated_file_extensions:
+    - dx
+    - jdx
+subject:
+    - spectroscopy
+    - infrared spectroscopy
+    - nuclear magnetic resonance spectroscopy
+    - electronc magnetic resonance spectroscopy
+    - mass spectrometry

From ba20de1f08d796e812a312a813c7ed07b8109955 Mon Sep 17 00:00:00 2001
From: Matthew Evans <git@ml-evs.science>
Date: Tue, 20 May 2025 13:03:15 +0100
Subject: [PATCH 2/4] Fix typo

---
 yard/data/filetypes/jcamp-dx.yml | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/yard/data/filetypes/jcamp-dx.yml b/yard/data/filetypes/jcamp-dx.yml
index 871841b..e3396ae 100644
--- a/yard/data/filetypes/jcamp-dx.yml
+++ b/yard/data/filetypes/jcamp-dx.yml
@@ -13,6 +13,6 @@ associated_file_extensions:
 subject:
     - spectroscopy
     - infrared spectroscopy
-    - nuclear magnetic resonance spectroscopy
-    - electronc magnetic resonance spectroscopy
+    - nuclear magnetic resonance spectrometry
+    - electronc magnetic resonance spectrometry
     - mass spectrometry

From 856e15012dda510776923f9b126b6853a42e3e03 Mon Sep 17 00:00:00 2001
From: Matthew Evans <git@ml-evs.science>
Date: Tue, 20 May 2025 13:08:11 +0100
Subject: [PATCH 3/4] Add nmrglue extractor

---
 yard/data/extractors/nmrglue.yml | 43 ++++++++++++++++++++++++++++++++
 1 file changed, 43 insertions(+)
 create mode 100644 yard/data/extractors/nmrglue.yml

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'

From 1bcd18ede04a9c30b944571940a6c73b2eb0e8c8 Mon Sep 17 00:00:00 2001
From: Matthew Evans <git@ml-evs.science>
Date: Tue, 17 Jun 2025 11:01:02 +0100
Subject: [PATCH 4/4] Add simple example JCAMP-DX NMR file

---
 yard/data/lfs/jcamp-dx/.gitattributes | 3 +++
 yard/data/lfs/jcamp-dx/13c.jdx        | 3 +++
 2 files changed, 6 insertions(+)
 create mode 100644 yard/data/lfs/jcamp-dx/.gitattributes
 create mode 100644 yard/data/lfs/jcamp-dx/13c.jdx

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