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ZENODO
Dataset . 2023
License: CC BY
Data sources: Datacite
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ZENODO
Dataset . 2023
License: CC BY
Data sources: ZENODO
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ZENODO
Dataset . 2023
License: CC BY
Data sources: Datacite
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Selected BMRB 1D 1H NMR data and physical chemistry values compiled from literature

Authors: Wang, Roy Chih Chung;

Selected BMRB 1D 1H NMR data and physical chemistry values compiled from literature

Abstract

This dataset contains a collection of a few 1D 1H nuclear magnetic resonance (NMR) spectroscopy experiment data from the Biological Magnetic Resonance Data Bank (BMRB). I collected them for reference on Zenodo because the BMRB in recent years have switched servers and adopted new web APIs, and I want to have this data in a data archive for ease of reproducing the results in my work. Please cite (doi: 10.1093/nar/gkac1050) if you use the BMRB data from this dataset, or consider downloading from their website. This dataset also contains my compiled lists of physical chemistry NMR parameters (chemical shift, J-coupling) from literature and public domain sources for select compounds. One source is the Guided Ideographic Spin System Model Optimization (GISSMO) website, which is based on (DOI: 10.1021/acs.analchem.7b02884) and (DOI: 10.1021/acs.analchem.8b02660). Another source I used is (DOI: 10.1002/nbm.3336). Please cite these sources in addition to this dataset if you use any of the physical chemistry information in this dataset. See the read me file for the format details. I do not guarantee the accuracy of any of the data in this dataset.

Keywords

J-coupling, nuclear magnetic resonance, chemical shift, NMR

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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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