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Readme.md

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This repository provides source code for Maximov MA, Galukhin AV, and Gor GY, "Pore Size Distribution of Silica Colloidal Crystals from Nitrogen Adsorption Isotherms", Langmuir 2019 (accepted)
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In short, it generates a kernel of adsorption and desorption isotherms using Frenkel-Halsey-Hill and Derjaguin-Broekhoff-de Boer theories and extracts the pore size distribution using Non-Negative Least Squares regression with Tikhonov (ridge) regularization and Generalized Cross-validation.
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In short, it generates a kernel of adsorption and desorption isotherms using Frenkel-Halsey-Hill and Derjaguin-Broekhoff-de Boer theories and extracts the pore size distribution using Non-Negative Least Squares regression with Tikhonov (ridge) regularization and Generalized Cross-Validation.
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![alt text](https://github.com/2xmax/dbdb_private/blob/docs/docs/TOC.png?raw=true "Logo Title Text 1")
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![alt text](https://github.com/2xmax/dbdb_private/blob/docs/docs/TOC.png?raw=true "TOC")
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Quick start
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===========
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To run examples from docs, run ```pip install . && pip install -r requirements.docs.txt && jupyter notebook``` in terminal/cmd and open the notebooks in your browser. Python 3.5+ is required for the source code, 3.6+ is required for the notebooks with examples.
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To install the package without cloning the project, run ```pip install dbdb```.
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To install the package without cloning the project, run ```pip install dbdb```
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To run examples from docs, clone the project ```git clone https://github.com/2xmax/dbdb.git && cd dbdb```, run ```pip install . && pip install -r requirements.docs.txt && jupyter notebook``` in terminal/cmd and open the notebooks in your browser. Python 3.5+ is required for the source code, 3.6+ is required for the notebooks with examples.
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Description of notebooks:
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- [psd_n2.ipynb](/docs/psd_n2.ipynb) - quick introduction based on the article data
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- [maximov2019lang_figures.ipynb](/docs/maximov2019lang_figures.ipynb) - reproduced pictures from the current article
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- [galukhin2019lang_figures.ipynb](/docs/galukhin2019lang_figures.ipynb) - reproduced pictures from the [previous article](https://doi.org/10.1021/acs.langmuir.8b03476) in series
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- [psd_arc.psd](/docs/psd_n2.ipynb) - application of FHH and DBdB theories on data from [Cychosz, Katie A., et al., Langmuir 28.34 (2012): 12647-12654.](https://doi.org/10.1021/la302362h)
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- [psd_n2.ipynb](https://nbviewer.jupyter.org/github/2xmax/dbdb/blob/master/docs/psd_n2.ipynb) - quick introduction based on the article data
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- [maximov2019lang_figures.ipynb](https://nbviewer.jupyter.org/github/2xmax/dbdb/blob/master/docs/maximov2019lang_figures.ipynb) - reproduced pictures from the current article
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- [galukhin2019lang_figures.ipynb](https://nbviewer.jupyter.org/github/2xmax/dbdb/blob/master/docs/galukhin2019lang_figures.ipynb) - reproduced pictures from the [previous article](https://doi.org/10.1021/acs.langmuir.8b03476) in series
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- [psd_arc.psd](https://nbviewer.jupyter.org/github/2xmax/dbdb/blob/master/docs/psd_arc.ipynb) - application of FHH and DBdB theories on data from [Cychosz, Katie A., et al., Langmuir 28.34 (2012): 12647-12654.](https://doi.org/10.1021/la302362h)
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BibTeX citation:
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Kernels
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===============
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Pre-calculated kernels for the article are available on the [releases page](https://github.com/2xmax/dbdb/releases). If you want to reparametrize it, go to docs/maximov2019lang_figures.ipynb and see how it was done.
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BibTeX citation
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===============
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```
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@article{maximov2019opals,

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