Description
This repository includes example code and data to correlate near-infrared spectroscopy (NIR) measurements with physical measurements for pure polyolefin samples. Specifically the provided Jupyter Notebook focuses on NIR correlations with density, crystallinity, and short chain branching. For additional information on using the code, please refer to the README.md, and for more information on the provided data, please refer to the README_data.md. Both files are included here and with the github code repository.For further information on methodology and interpretation, please refer to Bradley P. Sutliff, Shailja Goyal, Tyler B. Martin, Peter A. Beaucage, Debra J. Audus, and Sara V. Orski, "Correlations of Near-Infrared Spectra to Bulk Properties in Polyolefins, using Principal Component Analysis" Macromolecules 2024, 57, 5, 2329-2338, DOI: https://doi.org/10.1021/acs.macromol.3c02290
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| Web Resource | Unknown | CODEMETA.yaml | Open resource |
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| Comma Separated Values File | CSV | AdditionalMeasurementData.csv | Open resource |
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| Comma Separated Values File | CSV | H0001ULDPE_1.csv | Open resource |
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| Comma Separated Values File | CSV | H0001ULDPE_2.csv | Open resource |
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| Comma Separated Values File | CSV | H0001ULDPE_3.csv | Open resource |
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| Comma Separated Values File | CSV | H0001ULDPE_4.csv | Open resource |
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| Comma Separated Values File | CSV | H0001ULDPE_5.csv | Open resource |
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| Comma Separated Values File | CSV | H0001ULDPE_6.csv | Open resource |
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| Comma Separated Values File | CSV | H0002LDPE_1.csv | Open resource |
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| Comma Separated Values File | CSV | H0002LDPE_2.csv | Open resource |
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| Comma Separated Values File | CSV | H0002LDPE_3.csv | Open resource |
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| Comma Separated Values File | CSV | H0002LDPE_5.csv | Open resource |
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| Comma Separated Values File | CSV | H0002LDPE_6.csv | Open resource |
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| Comma Separated Values File | CSV | H0003LDPE_1.csv | Open resource |
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| Comma Separated Values File | CSV | H0003LDPE_2.csv | Open resource |
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| Comma Separated Values File | CSV | H0003LDPE_3.csv | Open resource |
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| Comma Separated Values File | CSV | H0003LDPE_4.csv | Open resource |
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| Comma Separated Values File | CSV | H0003LDPE_5.csv | Open resource |
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| Comma Separated Values File | CSV | H0003LDPE_6.csv | Open resource |
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| Comma Separated Values File | CSV | H0004LLDPE_1.csv | Open resource |
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| Comma Separated Values File | CSV | H0004LLDPE_2.csv | Open resource |
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| Comma Separated Values File | CSV | H0004LLDPE_3.csv | Open resource |
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| Comma Separated Values File | CSV | H0004LLDPE_5.csv | Open resource |
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| Comma Separated Values File | CSV | H0004LLDPE_6.csv | Open resource |
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| Comma Separated Values File | CSV | H0005LLDPE_1.csv | Open resource |
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| Comma Separated Values File | CSV | H0005LLDPE_2.csv | Open resource |
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| Comma Separated Values File | CSV | H0005LLDPE_3.csv | Open resource |
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| Comma Separated Values File | CSV | H0005LLDPE_4.csv | Open resource |
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| Comma Separated Values File | CSV | H0005LLDPE_5.csv | Open resource |
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| Comma Separated Values File | CSV | H0005LLDPE_6.csv | Open resource |
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| Comma Separated Values File | CSV | H0006MDPE_1.csv | Open resource |
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| Comma Separated Values File | CSV | H0006MDPE_2.csv | Open resource |
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| Comma Separated Values File | CSV | H0006MDPE_3.csv | Open resource |
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| Comma Separated Values File | CSV | H0006MDPE_4.csv | Open resource |
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| Comma Separated Values File | CSV | H0006MDPE_5.csv | Open resource |
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| Comma Separated Values File | CSV | H0006MDPE_6.csv | Open resource |
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| Comma Separated Values File | CSV | H0007HDPE_1.csv | Open resource |
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| Comma Separated Values File | CSV | H0007HDPE_2.csv | Open resource |
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| Comma Separated Values File | CSV | H0007HDPE_3.csv | Open resource |
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| Comma Separated Values File | CSV | H0007HDPE_6.csv | Open resource |
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| Comma Separated Values File | CSV | H0008HDPE_1.csv | Open resource |
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| Comma Separated Values File | CSV | H0008HDPE_2.csv | Open resource |
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| Comma Separated Values File | CSV | H0008HDPE_3.csv | Open resource |
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| Comma Separated Values File | CSV | H0008HDPE_4.csv | Open resource |
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| Comma Separated Values File | CSV | H0008HDPE_5.csv | Open resource |
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| Comma Separated Values File | CSV | H0008HDPE_6.csv | Open resource |
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| Comma Separated Values File | CSV | H0009PP_1.csv | Open resource |
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| Comma Separated Values File | CSV | H0009PP_2.csv | Open resource |
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| Comma Separated Values File | CSV | H0009PP_6.csv | Open resource |
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| Comma Separated Values File | CSV | N1473LDPE_1.csv | Open resource |
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| Comma Separated Values File | CSV | N1473LDPE_6.csv | Open resource |
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| Comma Separated Values File | CSV | N1474PE_1.csv | Open resource |
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| Comma Separated Values File | CSV | N1474PE_6.csv | Open resource |
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| Comma Separated Values File | CSV | N1476LDPE_1.csv | Open resource |
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| Comma Separated Values File | CSV | N1476LDPE_2.csv | Open resource |
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| Comma Separated Values File | CSV | N1476LDPE_3.csv | Open resource |
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| Comma Separated Values File | CSV | N1476LDPE_6.csv | Open resource |
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| Comma Separated Values File | CSV | S0011PP_1.csv | Open resource |
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| Comma Separated Values File | CSV | S0011PP_2.csv | Open resource |
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| Comma Separated Values File | CSV | S0011PP_3.csv | Open resource |
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| Comma Separated Values File | CSV | S0011PP_4.csv | Open resource |
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| Comma Separated Values File | CSV | S0024LDPE_1.csv | Open resource |
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| Comma Separated Values File | CSV | S0036RPP_1.csv | Open resource |
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| Comma Separated Values File | CSV | S0040HDPE_6.csv | Open resource |
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| Comma Separated Values File | CSV | S0048HDPE_1.csv | Open resource |
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| Comma Separated Values File | CSV | S0048HDPE_2.csv | Open resource |
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| Comma Separated Values File | CSV | S0052PP_1.csv | Open resource |
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| Comma Separated Values File | CSV | S0052PP_2.csv | Open resource |
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| Comma Separated Values File | CSV | S0081LDPE_1.csv | Open resource |
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| Comma Separated Values File | CSV | S0081LDPE_2.csv | Open resource |
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| Comma Separated Values File | CSV | S0081LDPE_3.csv | Open resource |
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| Web Resource | Unknown | README_data.md | Open resource |
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| Comma Separated Values File | CSV | SampleInformation.csv | Open resource |
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| Web Resource | Unknown | environment.yml | Open resource |
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| Web Resource | Unknown | LICENSE.md | Open resource |
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| Web Resource | Unknown | README.md | Open resource |
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| Text File | Text | requirements.txt | Open resource |
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| Jupyter notebook | Unknown | Jupyter notebook to read data and reproduce figures from the corresponding manuscript. | Open resource |
| GitHub Repo for Correlations of Near-Infrared Spectra to Bulk Properties in Polyolefins, using Principal Component Analysis | Unknown | Open resource |