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merrygoat committed Aug 12, 2020
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23 changes: 12 additions & 11 deletions README.md
Expand Up @@ -33,27 +33,28 @@ If this package was downloaded from pip, the source can be found on GitHub: http
Try it out
-------------

You can try out `xrdfit` directly in your browser with Binder: https://mybinder.org/v2/gh/LightForm-group/xrdfit/v1.0.0?filepath=%2Ftutorial%20notebooks
Note that `Tutorial Notebook 4` will not run correctly in Binder as it requires the download of a supplementary dataset (https://zenodo.org/record/3630511#.XjHhJGj7SUl) which is not included in the source repository due to its size.
You can try out `xrdfit` directly in your browser with Binder by clicking [here](https://mybinder.org/v2/gh/LightForm-group/xrdfit/master).

Note that `Tutorial Notebook 4` will not run correctly in Binder as it requires the download of a [supplementary dataset](https://zenodo.org/record/3630511#.XjHhJGj7SUl) which is not included in the source repository due to its size.

Compatibility
--------------

The code was developed and tested with Python version 3.8. The minimum required Python version is 3.6. If you install the dependencies of xrdfit using the
specification in requirements.txt, this will use the same package versions used by the developers. While this is good for reproducibility, it is worth noting that
if you are using a newer Python version > 3.8, some of these packages may not have binary wheels for your version and may require compilation.
if you are using a newer Python version (> 3.8), some of these packages may not have binary wheels for your version and may require compilation.

Required libraries
--------------------

This module uses the Python libraries:
* NumPy (https://numpy.org/)
* matplotlib (https://matplotlib.org/)
* pandas (https://pandas.pydata.org/)
* dill (https://pypi.org/project/dill/)
* tqdm (https://tqdm.github.io/)
* SciPy (https://www.scipy.org/)
* lmfit (https://lmfit.github.io/lmfit-py/)
* [NumPy](https://numpy.org/)
* [matplotlib](https://matplotlib.org/)
* [pandas](https://pandas.pydata.org/)
* [dill](https://pypi.org/project/dill/)
* [tqdm ](https://tqdm.github.io/)
* [SciPy](https://www.scipy.org/)
* [lmfit](https://lmfit.github.io/lmfit-py/)

The following libraries are required to use the tutorial documentation workbooks:
* Jupyter (https://jupyter.org/)
* [Jupyter](https://jupyter.org/)
15 changes: 11 additions & 4 deletions docs/source/index.rst
Expand Up @@ -26,13 +26,20 @@ The current development version is available on `github
Getting started
================
==================

This documentation is primarily an API reference, auto-generated from the docstrings in the source code.

The primary source of documentation for new users is a series of tutorial Jupyter Notebooks which are included with the source code.
The primary source of documentation for new users is a series of tutorial Jupyter Notebooks which are included with
the source code. You can check out the tutorial notebooks online in your browser at `Binder <https://mybinder.org/v2/gh/LightForm-group/xrdfit/master>`_.

The source and notebooks are available on the project’s GitHub page: `<https://github.com/LightForm-group/xrdfit>`_
Testing
========

The code does not contain formal tests but almost all of the features are covered in the tutorial notebooks. If you can run
these then you have installed xrdfit successfully!

The source and tutorial notebooks are available on the `xrdfit` `GitHub page <https://github.com/LightForm-group/xrdfit>`_.


Comparison to other peak fitting tools
Expand All @@ -41,7 +48,7 @@ Comparison to other peak fitting tools
DAWN
-----

`DAWN <ttps://dawnsci.org/>`_ is a multipurpose framework, developed to deal with analysis of a whole range of
`DAWN <https://dawnsci.org/>`_ is a multipurpose framework, developed to deal with analysis of a whole range of
datasets measured from beamline experiments. It is the most comparable tool we have come across in terms of its
ability to do simple fits like those done by `xrdfit`.

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2 changes: 1 addition & 1 deletion setup.py
Expand Up @@ -5,7 +5,7 @@

setup(
name='xrdfit',
version='1.0.0',
version='1.1.0',
description='Automated fitting of XRD peaks using Pseudo-Voight fits',
author='Peter Crowther, Christopher Daniel',
long_description=long_description,
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