Working version.

CITATION.cff

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+cff-version: 1.2.0
+message: If you use this software, please cite it using these metadata.
+title: OceanInsightUVVIS
+abstract: Python package to read the Ocean Insight ultraviolet-visible spectroscopy (uv-vis) file format.
+authors:
+  - family-names: Henderson
+    given-names: Alex
+    orcid: "https://orcid.org/0000-0002-5791-8555"
+    affiliation: University of Manchester, UK
+    email: [email protected]
+    website: https://alexhenderson.info
+version: 1.0.0
+date-released: "2021-10-24"
+license: MIT
+license-url: https://spdx.org/licenses/MIT#licenseText
+repository: "https://github.com/UoMMIB/OceanInsightUVVIS/"

README.md

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 # OceanInsightUVVIS
-Text file parser for Ocean Insight UV-VIS files. 
+
+Python package to read the Ocean Insight ultraviolet-visible spectroscopy (uv-vis) file format.
+
+[Ocean Insight](https://www.oceaninsight.com/) (formerly Ocean Optics) produce instrumentation for spectroscopy. 
+Their data acquisition package – [OceanView](https://www.oceaninsight.com/products/software/) – can export 
+spectra in a number of file formats. Here we read the `ASCII (with header data)` text format.
+
+## Usage
+### Construction
+To read a spectrum file, first create an instance of an OceanInsightUVVIS class, then pass the spectrum filename to 
+the `read`function. As a shortcut, pass the spectrum filename directly to the constructor.
+
+```python
+
+from uvvis.uvvis_spectrum import UVVisSpectrum
+
+obj = UVVisSpectrum()
+spectrum = obj.read("myfile.txt")
+```
+or
+
+```python
+
+from uvvis.uvvis_spectrum import UVVisSpectrum
+
+spectrum = UVVisSpectrum("myfile.txt")
+```
+
+### Functionality
+Retrieve the filename of the currently active spectrum  
+    `filename = spectrum.filename`
+
+Retrieve the spectral data as a Pandas dataframe  
+`data = spectrum.data`
+
+Retrieve the raw file header information as a dictionary  
+`header = spectrum.header`  
+
+Retrieve the file metadata as a dictionary  
+`metadata = spectrum.metadata_as_dict()`  
+
+Retrieve the file metadata as a JSON string    
+`jsonmetadata = spectrum.metadata_as_json()`  
+
+## Copyright and Licence for use
+Copyright (C) 2021 Alex Henderson [[email protected]](mailto:[email protected])
+
+This work is licensed under a [MIT](https://opensource.org/licenses/MIT) license.  
+SPDX-License-Identifier: MIT  
+
+The most recent version of this software library can be found here: [https://github.com/UoMMIB/OceanInsightUVVIS/](https://github.com/UoMMIB/OceanInsightUVVIS/)
+
+## Contributors
+Alex Henderson, University of Manchester. [[email protected]](mailto:[email protected])

docs/Makefile

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+# Minimal makefile for Sphinx documentation
+#
+
+# You can set these variables from the command line, and also
+# from the environment for the first two.
+SPHINXOPTS    ?=
+SPHINXBUILD   ?= sphinx-build
+SOURCEDIR     = source
+BUILDDIR      = build
+
+# Put it first so that "make" without argument is like "make help".
+help:
+	@$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
+
+.PHONY: help Makefile
+
+# Catch-all target: route all unknown targets to Sphinx using the new
+# "make mode" option.  $(O) is meant as a shortcut for $(SPHINXOPTS).
+%: Makefile
+	@$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)

docs/html/_sources/index.rst.txt

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+.. OceanInsightUVVIS documentation master file, created by
+   sphinx-quickstart on Sat Oct  2 16:17:19 2021.
+   You can adapt this file completely to your liking, but it should at least
+   contain the root `toctree` directive.
+
+.. include:: readme-shim.md
+   :parser: myst_parser.sphinx_
+
+.. toctree::
+   :maxdepth: 3
+   :caption: Contents:
+
+   modules
+
+
+Indices and tables
+==================
+
+* :ref:`genindex`
+* :ref:`modindex`
+* :ref:`search`

docs/html/_sources/main.rst.txt

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+main module
+===========
+
+.. automodule:: main
+   :members:
+   :undoc-members:
+   :show-inheritance:

docs/html/_sources/modules.rst.txt

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+source
+======
+
+.. toctree::
+   :maxdepth: 4
+
+   utilities
+   uvvis

docs/html/_sources/readme-shim.md.txt

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+```{include} ../../README.md
+```

docs/html/_sources/utilities.datetimeutils.rst.txt

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+utilities.datetimeutils package
+===============================
+
+Submodules
+----------
+
+utilities.datetimeutils.jsondatetimeencoder module
+--------------------------------------------------
+
+.. automodule:: utilities.datetimeutils.jsondatetimeencoder
+   :members:
+   :undoc-members:
+   :show-inheritance:
+
+Module contents
+---------------
+
+.. automodule:: utilities.datetimeutils
+   :members:
+   :undoc-members:
+   :show-inheritance:

docs/html/_sources/utilities.jsonutils.rst.txt

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+utilities.jsonutils package
+===========================
+
+Submodules
+----------
+
+utilities.jsonutils.multiplejsonencoders module
+-----------------------------------------------
+
+.. automodule:: utilities.jsonutils.multiplejsonencoders
+   :members:
+   :undoc-members:
+   :show-inheritance:
+
+Module contents
+---------------
+
+.. automodule:: utilities.jsonutils
+   :members:
+   :undoc-members:
+   :show-inheritance:

docs/html/_sources/utilities.pintutils.rst.txt

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+utilities.pintutils package
+===========================
+
+Submodules
+----------
+
+utilities.pintutils.jsonpintencoder module
+------------------------------------------
+
+.. automodule:: utilities.pintutils.jsonpintencoder
+   :members:
+   :undoc-members:
+   :show-inheritance:
+
+utilities.pintutils.unitmanager module
+--------------------------------------
+
+.. automodule:: utilities.pintutils.unitmanager
+   :members:
+   :undoc-members:
+   :show-inheritance:
+
+Module contents
+---------------
+
+.. automodule:: utilities.pintutils
+   :members:
+   :undoc-members:
+   :show-inheritance:

docs/html/_sources/utilities.rst.txt

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+utilities package
+=================
+
+Subpackages
+-----------
+
+.. toctree::
+   :maxdepth: 4
+
+   utilities.datetimeutils
+   utilities.jsonutils
+   utilities.pintutils
+
+Module contents
+---------------
+
+.. automodule:: utilities
+   :members:
+   :undoc-members:
+   :show-inheritance:

docs/html/_sources/uvvis.rst.txt

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+uvvis package
+=============
+
+Submodules
+----------
+
+uvvis.uvvis\_spectrum module
+----------------------------
+
+.. automodule:: uvvis.uvvis_spectrum
+   :members:
+   :undoc-members:
+   :show-inheritance:
+
+Module contents
+---------------
+
+.. automodule:: uvvis
+   :members:
+   :undoc-members:
+   :show-inheritance: