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README.rst

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`Diffpy user group <https://groups.google.com/g/diffpy-users>`_ is the discussion forum for general questions and discussions about the use of diffpy.nmf_mapping. Please join the diffpy.nmf_mapping users community by joining the Google group. The diffpy.nmf_mapping project welcomes your expertise and enthusiasm!
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If you see a bug or want to request a feature, please `report it as an issue <https://github.com/diffpy/diffpy.nmf_mapping/issues>`_ and/or `submit a fix as a PR <https://github.com/diffpy/diffpy.nmf_mapping/pulls>`_. You can also post it to the `Diffpy user group <https://groups.google.com/g/diffpy-users>`_.
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If you see a bug or want to request a feature, please `report it as an issue <https://github.com/diffpy/diffpy.nmf_mapping/issues>`_ and/or `submit a fix as a PR <https://github.com/diffpy/diffpy.nmf_mapping/pulls>`_. You can also post it to the `Diffpy user group <https://groups.google.com/g/diffpy-users>`_.
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Feel free to fork the project and contribute. To install diffpy.nmf_mapping
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in a development mode, with its sources being directly used by Python

doc/examples/NMFBatching.ipynb

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"## Notebook Introduction\n",
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"This notebook takes the synthetic example datasets and batches it into four significantly different subsets. A threshold\n",
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"of 10 weight percent of any given phase is used to batch the data, meaning that if a phase either enters or leaves the\n",
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"signal (with a threshold of 10 wight percent) the input data will be separated. The notebook then goes a step further\n",
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"signal (with a threshold of 10 weight percent) the input data will be separated. The notebook then goes a step further\n",
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"by taking an exemplary INP topas file and editing it such that it will refine a number of basic parameters for a given\n",
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"batch of the data."
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]

doc/source/license.rst

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=============================
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BSD 3-Clause License
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Copyright (c) 2024, The Trustees of Columbia University in
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Copyright (c) 2024, The Trustees of Columbia University in
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the City of New York.
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All Rights Reserved.
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All Rights Reserved.
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Redistribution and use in source and binary forms, with or without
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modification, are permitted provided that the following conditions are met:

requirements/conda.txt

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diffpy.utils
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pandas
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matplotlib-base
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bg-mpl-stylesheets
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bg-mpl-stylesheets

requirements/pip.txt

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diffpy.utils
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pandas
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matplotlib
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bg-mpl-stylesheets
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bg-mpl-stylesheets

src/diffpy/__init__.py

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__path__ = extend_path(__path__, __name__)
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# End of file
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src/diffpy/nmf_mapping/nmf_mapping_code.py

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import numpy as np
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import pandas as pd
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from bg_mpl_stylesheets.styles import all_styles
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from diffpy.utils.parsers.loaddata import loadData
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from scipy import interpolate
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from sklearn.decomposition import NMF, PCA
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from sklearn.exceptions import ConvergenceWarning
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from diffpy.utils.parsers.loaddata import loadData
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plt.style.use(all_styles["bg-style"])
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warnings.filterwarnings("ignore", category=FutureWarning)
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warnings.filterwarnings("ignore", category=ConvergenceWarning)

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