diff --git a/README.md b/README.md index 4b12afc..23e7e26 100644 --- a/README.md +++ b/README.md @@ -1,24 +1,29 @@ -# RamanSPy +

+ + RamanSPy logo + +

-[![Downloads](https://static.pepy.tech/badge/ramanspy)](https://pepy.tech/project/ramanspy) [![contributions welcome](https://img.shields.io/badge/contributions-welcome-brightgreen.svg?style=flat)]([https://github.com/dwyl/esta/issues](https://github.com/barahona-research-group/RamanSPy/issues)) +## *RamanSPy*: An open-source package for Raman Spectroscopy analytics in Python. +[![Downloads](https://static.pepy.tech/badge/ramanspy)](https://pepy.tech/project/ramanspy) [![contributions welcome](https://img.shields.io/badge/contributions-welcome-brightgreen.svg?style=flat)]([https://github.com/dwyl/esta/issues](https://github.com/barahona-research-group/RamanSPy/issues)) -*RamanSPy* is an open-source Python package for integrative -Raman spectroscopy data analysis. ## Key features +![Overview of RamanSPy](docs/source/images/ramanspy_graphical_abstract.png) + - Common data format - Data loaders - Preprocessing methods - Preprocessing pipelining - Preprocessing protocols - Analysis methods +- AI & ML integration - Visualisation tools -- AI integration - Datasets +- Synthetic data generator - Metrics -- Synthetic data generator (***new in versions >= 0.2.0***) ## Installation @@ -68,11 +73,11 @@ rp.plot.show() ## Documentation For more information about the functionalities of the package, refer to -the [documentation](https://ramanspy.readthedocs.io). +the [online documentation](https://ramanspy.readthedocs.io). ## Credits -If you use this package for your research, please cite our paper: +If you use *RamanSPy* for your research, please cite our paper: [Georgiev, D.; Pedersen, S. V.; Xie, R.; Fernández-Galiana, Á.; Stevens, M. M.; Barahona, M. *RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis*. ACS Analytical Chemistry **2024**, 96(21), 8492-8500, DOI: 10.1021/acs.analchem.4c00383](https://pubs.acs.org/doi/10.1021/acs.analchem.4c00383) diff --git a/docs/build/doctrees/environment.pickle b/docs/build/doctrees/environment.pickle index 1dfea2e..83da2bd 100644 Binary files a/docs/build/doctrees/environment.pickle and b/docs/build/doctrees/environment.pickle differ diff --git a/docs/build/doctrees/index.doctree b/docs/build/doctrees/index.doctree index 0dc671b..a391446 100644 Binary files a/docs/build/doctrees/index.doctree and b/docs/build/doctrees/index.doctree differ diff --git a/docs/build/html/.buildinfo b/docs/build/html/.buildinfo index 97f48a0..b38e6e3 100644 --- a/docs/build/html/.buildinfo +++ b/docs/build/html/.buildinfo @@ -1,4 +1,4 @@ # Sphinx build info version 1 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done. -config: 4120cd5746195a2fc1af6c77d5dfc838 +config: ba21baef02957aa75ccaa933bdd1e25c tags: 645f666f9bcd5a90fca523b33c5a78b7 diff --git a/docs/build/html/_modules/index.html b/docs/build/html/_modules/index.html index 359a471..bf67057 100644 --- a/docs/build/html/_modules/index.html +++ b/docs/build/html/_modules/index.html @@ -265,7 +265,7 @@

Links

diff --git a/docs/build/html/_modules/ramanspy/core.html b/docs/build/html/_modules/ramanspy/core.html index d5dba8c..74a43cd 100644 --- a/docs/build/html/_modules/ramanspy/core.html +++ b/docs/build/html/_modules/ramanspy/core.html @@ -192,8 +192,8 @@
  • ramanspy.preprocessing.baseline.ASPLS
  • ramanspy.preprocessing.baseline.Poly
  • ramanspy.preprocessing.baseline.ModPoly
  • -
  • ramanspy.preprocessing.baseline.Poly
  • -
  • ramanspy.preprocessing.baseline.ModPoly
  • +
  • ramanspy.preprocessing.baseline.PenalisedPoly
  • +
  • ramanspy.preprocessing.baseline.IModPoly
  • ramanspy.preprocessing.baseline.Goldindec
  • ramanspy.preprocessing.baseline.IRSQR
  • ramanspy.preprocessing.baseline.CornerCutting
  • @@ -265,7 +265,7 @@

    Links

    diff --git a/docs/build/html/_modules/ramanspy/load.html b/docs/build/html/_modules/ramanspy/load.html index 0047a7e..5bcc1e0 100644 --- a/docs/build/html/_modules/ramanspy/load.html +++ b/docs/build/html/_modules/ramanspy/load.html @@ -192,8 +192,8 @@
  • ramanspy.preprocessing.baseline.ASPLS
  • ramanspy.preprocessing.baseline.Poly
  • ramanspy.preprocessing.baseline.ModPoly
  • -
  • ramanspy.preprocessing.baseline.Poly
  • -
  • ramanspy.preprocessing.baseline.ModPoly
  • +
  • ramanspy.preprocessing.baseline.PenalisedPoly
  • +
  • ramanspy.preprocessing.baseline.IModPoly
  • ramanspy.preprocessing.baseline.Goldindec
  • ramanspy.preprocessing.baseline.IRSQR
  • ramanspy.preprocessing.baseline.CornerCutting
  • @@ -265,7 +265,7 @@

    Links

    diff --git a/docs/build/html/_modules/ramanspy/preprocessing/baseline.html b/docs/build/html/_modules/ramanspy/preprocessing/baseline.html index 43f41e5..f214220 100644 --- a/docs/build/html/_modules/ramanspy/preprocessing/baseline.html +++ b/docs/build/html/_modules/ramanspy/preprocessing/baseline.html @@ -265,7 +265,7 @@

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    diff --git a/docs/build/html/_modules/ramanspy/synth/synth.html b/docs/build/html/_modules/ramanspy/synth/synth.html index 4cec17c..f5cbb0f 100644 --- a/docs/build/html/_modules/ramanspy/synth/synth.html +++ b/docs/build/html/_modules/ramanspy/synth/synth.html @@ -265,7 +265,7 @@

    Links

    diff --git a/docs/build/html/_sources/index.rst.txt b/docs/build/html/_sources/index.rst.txt index 7e554c0..93c82c7 100644 --- a/docs/build/html/_sources/index.rst.txt +++ b/docs/build/html/_sources/index.rst.txt @@ -6,6 +6,13 @@ day-to-day analyses, research applications, as well as the development and valid | +.. image:: images/ramanspy_graphical_abstract.png + :width: 600 + :align: center + :alt: Overview of RamanSPy's functionalities + +| + Key features ----------------- - Common data format @@ -14,11 +21,11 @@ Key features - Preprocessing pipelining - Preprocessing protocols - Analysis methods +- AI and ML integration - Visualisation tools -- AI integration - Datasets +- Synthetic data generator - Metrics -- Synthetic data generator (**new in versions >= 0.2.0**) | @@ -34,7 +41,20 @@ Credits ----------------- If you use this package for your research, please cite our paper: -`Georgiev, D., Pedersen, S., Xie, R., Fernández-Galiana, Á., Stevens, M., & Barahona, M. (2023). RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis. ChemRxiv. doi:10.26434/chemrxiv-2023-m3xlm `_ +`Georgiev, D.; Pedersen, S. V.; Xie, R.; Fernández-Galiana, Á.; Stevens, M. M.; Barahona, M. RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis. ACS Analytical Chemistry 2024, 96(21), 8492-8500, DOI: 10.1021/acs.analchem.4c00383 `_ + +.. code-block:: latex + + @article{georgiev2024ramanspy, + title={RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis}, + author={Georgiev, Dimitar and Pedersen, Simon Vilms and Xie, Ruoxiao and Fern{\'a}ndez-Galiana, Alvaro and Stevens, Molly M and Barahona, Mauricio}, + journal={Analytical Chemistry}, + volume={96}, + number={21}, + pages={8492-8500}, + year={2024}, + doi={10.1021/acs.analchem.4c00383} + } | @@ -88,4 +108,4 @@ Also, if you find *RamanSPy* useful, please consider leaving a star on GitHub: :hidden: GitHub repository - Paper \ No newline at end of file + Paper \ No newline at end of file diff --git a/docs/build/html/_templates/autosummary/class.html b/docs/build/html/_templates/autosummary/class.html index a3c1c0e..c4e753e 100644 --- a/docs/build/html/_templates/autosummary/class.html +++ b/docs/build/html/_templates/autosummary/class.html @@ -266,7 +266,7 @@

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    diff --git a/docs/build/html/examples/README.html b/docs/build/html/examples/README.html index 4bd163e..485b2b0 100644 --- a/docs/build/html/examples/README.html +++ b/docs/build/html/examples/README.html @@ -266,7 +266,7 @@

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    diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.AIRPLS.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.AIRPLS.html index d593c3a..27cbfce 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.AIRPLS.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.AIRPLS.html @@ -266,7 +266,7 @@

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    diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ARPLS.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ARPLS.html index 20d7450..baa1520 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ARPLS.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ARPLS.html @@ -266,7 +266,7 @@

    Links

    diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASLS.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASLS.html index 9164251..476150f 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASLS.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASLS.html @@ -266,7 +266,7 @@

    Links

    diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASPLS.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASPLS.html index 7627f67..7881e2a 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASPLS.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASPLS.html @@ -266,7 +266,7 @@

    Links

    diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.CornerCutting.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.CornerCutting.html index b5dae0b..b2662b3 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.CornerCutting.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.CornerCutting.html @@ -266,7 +266,7 @@

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    diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.DRPLS.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.DRPLS.html index 2250ee1..5aa43fd 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.DRPLS.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.DRPLS.html @@ -266,7 +266,7 @@

    Links

    diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.FABC.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.FABC.html index e2139ea..d733ab3 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.FABC.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.FABC.html @@ -266,7 +266,7 @@

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    diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.Goldindec.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.Goldindec.html index 1c3cc07..ec01174 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.Goldindec.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.Goldindec.html @@ -266,7 +266,7 @@

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    diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IARPLS.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IARPLS.html index 4da4d74..375d007 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IARPLS.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IARPLS.html @@ -266,7 +266,7 @@

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    diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IASLS.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IASLS.html index dfd8099..829ba28 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IASLS.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IASLS.html @@ -266,7 +266,7 @@

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    diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ModPoly.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ModPoly.html index cf5b17a..6f55781 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ModPoly.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ModPoly.html @@ -266,7 +266,7 @@

    Links

    diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.Poly.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.Poly.html index 06a0674..e99d8d9 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.Poly.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.Poly.html @@ -266,7 +266,7 @@

    Links

    diff --git a/docs/build/html/generated/prepprocessing/denoising/ramanspy.preprocessing.denoise.Gaussian.html b/docs/build/html/generated/prepprocessing/denoising/ramanspy.preprocessing.denoise.Gaussian.html index ee11ab1..61f6dda 100644 --- a/docs/build/html/generated/prepprocessing/denoising/ramanspy.preprocessing.denoise.Gaussian.html +++ b/docs/build/html/generated/prepprocessing/denoising/ramanspy.preprocessing.denoise.Gaussian.html @@ -266,7 +266,7 @@

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    diff --git a/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.MaxIntensity.html b/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.MaxIntensity.html index 7a96ce4..8365b31 100644 --- a/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.MaxIntensity.html +++ b/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.MaxIntensity.html @@ -266,7 +266,7 @@

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    diff --git a/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.Vector.html b/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.Vector.html index d0fb9d5..f70e82b 100644 --- a/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.Vector.html +++ b/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.Vector.html @@ -266,7 +266,7 @@

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    diff --git a/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.bergholt2016.html b/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.bergholt2016.html index 3c40e4f..98193d1 100644 --- a/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.bergholt2016.html +++ b/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.bergholt2016.html @@ -266,7 +266,7 @@

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    diff --git a/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.georgiev2023_P1.html b/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.georgiev2023_P1.html index f9806d8..72c28e7 100644 --- a/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.georgiev2023_P1.html +++ b/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.georgiev2023_P1.html @@ -266,7 +266,7 @@

    Links

    diff --git a/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.georgiev2023_P3.html b/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.georgiev2023_P3.html index 2885084..80e9746 100644 --- a/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.georgiev2023_P3.html +++ b/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.georgiev2023_P3.html @@ -266,7 +266,7 @@

    Links

    diff --git a/docs/build/html/genindex.html b/docs/build/html/genindex.html index 0dd085b..971f79d 100644 --- a/docs/build/html/genindex.html +++ b/docs/build/html/genindex.html @@ -264,7 +264,7 @@

    Links

    diff --git a/docs/build/html/index.html b/docs/build/html/index.html index 5a5f586..941b53f 100644 --- a/docs/build/html/index.html +++ b/docs/build/html/index.html @@ -266,7 +266,7 @@

    Links

    @@ -308,6 +308,10 @@

    RamanSPy

    +
    Overview of RamanSPy's functionalities +
    +

    +

    Key features

      @@ -317,11 +321,11 @@

      Key features

      @@ -339,7 +343,19 @@

      Getting started

      Credits

      If you use this package for your research, please cite our paper:

      -

      Georgiev, D., Pedersen, S., Xie, R., Fernández-Galiana, Á., Stevens, M., & Barahona, M. (2023). RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis. ChemRxiv. doi:10.26434/chemrxiv-2023-m3xlm

      +

      Georgiev, D.; Pedersen, S. V.; Xie, R.; Fernández-Galiana, Á.; Stevens, M. M.; Barahona, M. RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis. ACS Analytical Chemistry 2024, 96(21), 8492-8500, DOI: 10.1021/acs.analchem.4c00383

      +
      @article{georgiev2024ramanspy,
      +    title={RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis},
      +    author={Georgiev, Dimitar and Pedersen, Simon Vilms and Xie, Ruoxiao and Fern{\'a}ndez-Galiana, Alvaro and Stevens, Molly M and Barahona, Mauricio},
      +    journal={Analytical Chemistry},
      +    volume={96},
      +    number={21},
      +    pages={8492-8500},
      +    year={2024},
      +    doi={10.1021/acs.analchem.4c00383}
      +}
      +
      +

      diff --git a/docs/build/html/installation.html b/docs/build/html/installation.html index cb3dfde..33b3f20 100644 --- a/docs/build/html/installation.html +++ b/docs/build/html/installation.html @@ -266,7 +266,7 @@

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      Links

      diff --git a/docs/build/html/overview.html b/docs/build/html/overview.html index 4e7f8c4..21d2bca 100644 --- a/docs/build/html/overview.html +++ b/docs/build/html/overview.html @@ -266,7 +266,7 @@

      Links

      diff --git a/docs/build/html/plot.html b/docs/build/html/plot.html index a8d76d1..745075e 100644 --- a/docs/build/html/plot.html +++ b/docs/build/html/plot.html @@ -266,7 +266,7 @@

      Links

      diff --git a/docs/build/html/preprocessing.html b/docs/build/html/preprocessing.html index fe07bc9..3387f61 100644 --- a/docs/build/html/preprocessing.html +++ b/docs/build/html/preprocessing.html @@ -266,7 +266,7 @@

      Links

      diff --git a/docs/build/html/search.html b/docs/build/html/search.html index 21c937a..60b5bca 100644 --- a/docs/build/html/search.html +++ b/docs/build/html/search.html @@ -263,7 +263,7 @@

      Links

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dc7fcac..1ed4e06 100644 --- a/docs/build/html/synth.html +++ b/docs/build/html/synth.html @@ -266,7 +266,7 @@

      Links

      diff --git a/docs/build/html/tutorials/README.html b/docs/build/html/tutorials/README.html index a5c6fcf..4d63fd2 100644 --- a/docs/build/html/tutorials/README.html +++ b/docs/build/html/tutorials/README.html @@ -266,7 +266,7 @@

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      diff --git a/docs/build/html/tutorials/i-classes/README.html b/docs/build/html/tutorials/i-classes/README.html index 38a530f..6813846 100644 --- a/docs/build/html/tutorials/i-classes/README.html +++ b/docs/build/html/tutorials/i-classes/README.html @@ -266,7 +266,7 @@

      Links

      diff --git a/docs/build/html/tutorials/ii-instrumental/README.html b/docs/build/html/tutorials/ii-instrumental/README.html index dc11bd3..3c59528 100644 --- a/docs/build/html/tutorials/ii-instrumental/README.html +++ b/docs/build/html/tutorials/ii-instrumental/README.html @@ -266,7 +266,7 @@

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      diff --git a/docs/build/html/tutorials/iii-datasets/README.html b/docs/build/html/tutorials/iii-datasets/README.html index 8b3eb2c..2af6b75 100644 --- a/docs/build/html/tutorials/iii-datasets/README.html +++ b/docs/build/html/tutorials/iii-datasets/README.html @@ -266,7 +266,7 @@

      Links

      diff --git a/docs/build/html/tutorials/iv-viz/README.html b/docs/build/html/tutorials/iv-viz/README.html index a21f1de..68b0c11 100644 --- a/docs/build/html/tutorials/iv-viz/README.html +++ b/docs/build/html/tutorials/iv-viz/README.html @@ -266,7 +266,7 @@

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      diff --git a/docs/build/html/tutorials/v-preprocessing/README.html b/docs/build/html/tutorials/v-preprocessing/README.html index edcef28..3eb616a 100644 --- a/docs/build/html/tutorials/v-preprocessing/README.html +++ b/docs/build/html/tutorials/v-preprocessing/README.html @@ -266,7 +266,7 @@

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      diff --git a/docs/build/html/tutorials/vi-analysis/README.html b/docs/build/html/tutorials/vi-analysis/README.html index ab280c1..1fd8e1a 100644 --- a/docs/build/html/tutorials/vi-analysis/README.html +++ b/docs/build/html/tutorials/vi-analysis/README.html @@ -266,7 +266,7 @@

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      diff --git a/docs/build/html/tutorials/vii-synth/README.html b/docs/build/html/tutorials/vii-synth/README.html index 0bdcbb1..f3ffb21 100644 --- a/docs/build/html/tutorials/vii-synth/README.html +++ b/docs/build/html/tutorials/vii-synth/README.html @@ -266,7 +266,7 @@

      Links

      diff --git a/docs/source/auto_tutorials/ii-instrumental/i_witec_codeobj.pickle b/docs/source/auto_tutorials/ii-instrumental/i_witec_codeobj.pickle index 52ac4bf..a626766 100644 Binary files a/docs/source/auto_tutorials/ii-instrumental/i_witec_codeobj.pickle and b/docs/source/auto_tutorials/ii-instrumental/i_witec_codeobj.pickle differ diff --git a/docs/source/auto_tutorials/ii-instrumental/iv_other_codeobj.pickle b/docs/source/auto_tutorials/ii-instrumental/iv_other_codeobj.pickle index 73253b9..4da89ac 100644 Binary files a/docs/source/auto_tutorials/ii-instrumental/iv_other_codeobj.pickle and b/docs/source/auto_tutorials/ii-instrumental/iv_other_codeobj.pickle differ diff --git a/docs/source/images/ramanspy_graphical_abstract.png b/docs/source/images/ramanspy_graphical_abstract.png new file mode 100644 index 0000000..4a5c21f Binary files /dev/null and b/docs/source/images/ramanspy_graphical_abstract.png differ diff --git a/docs/source/index.rst b/docs/source/index.rst index 7e554c0..93c82c7 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -6,6 +6,13 @@ day-to-day analyses, research applications, as well as the development and valid | +.. image:: images/ramanspy_graphical_abstract.png + :width: 600 + :align: center + :alt: Overview of RamanSPy's functionalities + +| + Key features ----------------- - Common data format @@ -14,11 +21,11 @@ Key features - Preprocessing pipelining - Preprocessing protocols - Analysis methods +- AI and ML integration - Visualisation tools -- AI integration - Datasets +- Synthetic data generator - Metrics -- Synthetic data generator (**new in versions >= 0.2.0**) | @@ -34,7 +41,20 @@ Credits ----------------- If you use this package for your research, please cite our paper: -`Georgiev, D., Pedersen, S., Xie, R., Fernández-Galiana, Á., Stevens, M., & Barahona, M. (2023). RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis. ChemRxiv. doi:10.26434/chemrxiv-2023-m3xlm `_ +`Georgiev, D.; Pedersen, S. V.; Xie, R.; Fernández-Galiana, Á.; Stevens, M. M.; Barahona, M. RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis. ACS Analytical Chemistry 2024, 96(21), 8492-8500, DOI: 10.1021/acs.analchem.4c00383 `_ + +.. code-block:: latex + + @article{georgiev2024ramanspy, + title={RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis}, + author={Georgiev, Dimitar and Pedersen, Simon Vilms and Xie, Ruoxiao and Fern{\'a}ndez-Galiana, Alvaro and Stevens, Molly M and Barahona, Mauricio}, + journal={Analytical Chemistry}, + volume={96}, + number={21}, + pages={8492-8500}, + year={2024}, + doi={10.1021/acs.analchem.4c00383} + } | @@ -88,4 +108,4 @@ Also, if you find *RamanSPy* useful, please consider leaving a star on GitHub: :hidden: GitHub repository - Paper \ No newline at end of file + Paper \ No newline at end of file diff --git a/pyproject.toml b/pyproject.toml index 8b48046..269b2a0 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -6,7 +6,7 @@ build-backend = "setuptools.build_meta" [project] name = "ramanspy" -version = "0.2.9" +version = "0.2.10" description = "RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis" readme = "README.md" authors = [{ name = "Dimitar Georgiev", email = "d.georgiev21@imperial.ac.uk" }] @@ -43,7 +43,7 @@ requires-python = ">=3.8" [project.urls] Documentation = "https://ramanspy.readthedocs.io" Source = "https://github.com/barahona-research-group/RamanSPy" -Preprint = "https://chemrxiv.org/engage/chemrxiv/article-details/64a53861ba3e99daef8c9c51" +Paper = "https://pubs.acs.org/doi/10.1021/acs.analchem.4c00383" [options.packages.find] where = "src"