Add files and edit readme

Added files:
* dataPlottedInFig_3_4_and_5.xlsx
* CITATION.cff

Edited README.md:
* Added metadata of the article accepted for publication
* Added "https" prefix to doi of Sprecher et al. (2014)
* New line added before MIT license statement.

CITATION.cff

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+# This CITATION.cff file was generated with cffinit.
+# Visit https://bit.ly/cffinit to generate yours today!
+
+cff-version: 1.2.0
+title: >-
+  Data and scripts for interoperable and reusable LCA system
+  models of rare earth magnet production
+message: >-
+  If you use the scripts, please refer to the Zenodo
+  repository. For other use cases, please cite the research
+  article as provided in the preferred-citation field.
+type: software
+authors:
+  - given-names: Brenda
+    family-names: "Miranda Xicotencatl"
+    email: [email protected]
+    affiliation: >-
+      Institute of Environmental Sciences of Leiden
+      University (CML)
+    orcid: 'https://orcid.org/0000-0003-0714-6697'
+identifiers:
+  - type: doi
+    value: 10.5281/zenodo.7268485
+    description: >-
+      This is the collection of all versions of the 'Data
+      and scripts for interoperable and reusable LCA system
+      models of rare earth magnet production' archived in
+      Zenodo.
+abstract: >-
+  This repository contains the scripts and own generated
+  data developed for the article entitled 'Data
+  implementation matters: Effect of software choice and LCI
+  database evolution on a comparative LCA study of permanent
+  magnets'. The data folder contains the characterized
+  results of three alternatives for the production of rare
+  earth magnets (REMs), calculated with several versions of
+  the ecoinvent database (v2.2 and cut-off v3.1 to v3.6),
+  their life cycle inventories, the foreground data to
+  reproduce their product system models and the data plotted
+  in Figures 3, 4 and 5 of the related article.
+keywords:
+  - interoperability
+  - life cycle assessment
+  - LCA
+  - life cycle inventory
+  - LCI database
+  - background
+  - neodymium
+  - permanent magnet
+  - LCA software
+  - reproducibility
+  - industrial ecology
+license: MIT
+
+preferred-citation:
+  authors:
+    - family-names: "Miranda Xicotencatl"
+      given-names: Brenda
+    - family-names: Kleijn
+      given-names: Rene
+    - family-names: Nielen
+      given-names: Sander
+      name-particle: van
+    - family-names: Donati
+      given-names: Franco
+    - family-names: Sprecher
+      given-names: Benjamin
+    - family-names: Tukker
+      given-names: Arnold
+  title: >-
+    Data implementation matters: Effect of software choice
+    and LCI database evolution on a comparative LCA study
+    of permanent magnets
+  type: article
+  year: 2023
+  doi: 10.1111/jiec.13410
+  journal: "Journal of Industrial Ecology"
+
+references:
+  - authors:
+    - family-names: Sprecher
+      given-names: Benjamin
+    - family-names: Xiao
+      given-names: Yanping
+    - family-names: Walton
+      given-names: Allan
+    - family-names: Speight
+      given-names: John
+    - family-names: Harris
+      given-names: Rex
+    - family-names: Kleijn
+      given-names: Rene
+    - family-names: Visser
+      given-names: Geert
+    - family-names: Kramer
+      given-names: "Gert Jan"
+    title: >-
+      Life Cycle Inventory of the Production of Rare Earths and the Subsequent
+      Production of NdFeB Rare Earth Permanent Magnets
+    type: article
+    year: 2014
+    doi: 10.1021/es404596q

README.md

@@ -1,6 +1,10 @@
 # Data and scripts for interoperable and reusable LCA system models of rare earth magnet production
 
-This repository contains the scripts and own generated data developed for the article entitled 'Data implementation matters: Effect of software choice and LCI database evolution on a comparative LCA study of permanent magnets'. It contains the characterized results of three alternatives for the production of rare earth magnets (REMs), calculated with several versions of the ecoinvent database (v2.2 and cut-off v3.1 to v3.6), their life cycle inventories and the foreground data to reproduce their product system models.
+This repository contains the scripts and own generated data developed for the article:
+
+Miranda Xicotencatl, B., Kleijn, R., van Nielen, S., Donati, F., Sprecher B. & Tukker, A. (2023). Data implementation matters: Effect of software choice and LCI database evolution on a comparative LCA study of permanent magnets. *Journal of Industrial Ecology*.
+
+The data folder contains the characterized results of three alternatives for the production of rare earth magnets (REMs), calculated with several versions of the ecoinvent database (v2.2 and cut-off v3.1 to v3.6), their life cycle inventories, the foreground data to reproduce their product system models and the data plotted in Figures 3, 4 and 5 of the related article.
 
 **Please refer to the article and the first part of the supplementary information (SI1) for further details about the context and purpose of this repository.**
 
@@ -28,17 +32,20 @@ The table below describes the organization of the own generated data for the ref
 |versions_CML_LCIA-results.csv|data/results/|CSV|text editor|
 |Inventory_software_bw.csv|data/results/LCIs|CSV|text editor|
 |Inventory_versions_CML.csv|data/results/LCIs|CSV|text editor|
+|dataPlottedInFig_3_4_and_5.xlsx|results/plotted|XLSX| Excel or LibreOffice|
 
 ## Notes on the software which can read the data
 
 * Custom script or Activity Browser: To use the file as intended, please start by opening  the file "SI1_BWimport". This document guides the user through the interaction with the custom scripts and it is available as a PDF and as an interactive Jupyter notebook (IPYNB).
-* The XLSX, CSV and TXT files can also be browsed in productivity software such as the open-source suite LibreOffice.
+* The XLSX, CSV and TXT files intended for the custom scripts can also be browsed in productivity software such as the open-source suite LibreOffice.
 * The JPG files in the data folder are used by the interactive Jupyter notebook. Standard processing software is capable to render the JPG files.
 
 ## Note on foreground data
 
-[Sprecher et al. (2014)](dx.doi.org/10.1021/es404596q) made their foreground data partially available in a human-readable format under a CC BY-NC 4.0 license. The file `processDataCMLCA.xlsx` is based on their complete product system model and consists of an annotated human- and machine-readable version. This modified version also includes the allocation factors that were not reported in their original publication.
+[Sprecher et al. (2014)](https://dx.doi.org/10.1021/es404596q) made their foreground data partially available in a human-readable format under a CC BY-NC 4.0 license. The file `processDataCMLCA.xlsx` is based on their complete product system model and consists of an annotated human- and machine-readable version. This modified version also includes the allocation factors used by Sprecher et al. (2014) that were not reported in their original publication.
 
 # License
 
-The data listed in the table above is based on the work by [Sprecher et al. (2014)](dx.doi.org/10.1021/es404596q) and licensed under a [Creative Commons Attribution-NonCommercial 4.0 International License](https://creativecommons.org/licenses/by-nc/4.0/) by Brenda Miranda Xicotencatl. The underlying source code is licensed under the [MIT license](LICENSE)
+The data listed in the table above is based on the work by [Sprecher et al. (2014)](https://dx.doi.org/10.1021/es404596q) and licensed under a [Creative Commons Attribution-NonCommercial 4.0 International License](https://creativecommons.org/licenses/by-nc/4.0/) by Brenda Miranda Xicotencatl.
+
+The underlying source code is available in this repository under the [MIT license](LICENSE).