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mahynski/bmrb-hsqc-nmr-1H13C

This is a set of Heteronuclear single quantum coherence spectroscopy (HSQC) nuclear magnetic resonance (NMR) spectra for various biological molecules. Specifically, these are 1H-13C spectra. The "train" fold originates from the Biological Magnetic Resonance Data Bank (https://bmrb.io/), while the "test" fold corresponds to measurements of fish liver. HSQC NMR spectra are 2D spectra with an intensity recorded for each point in 2D space. These results were collected using a Bruker instrument and the raw data can be read with python using the nmrglue (https://pypi.org/project/nmrglue/) package. This dataset is meant to accompany FINCHnmr (https://github.com/mahynski/FINCHnmr) as an example library.

sourceHugging Faceotherupdated 2y agoView on Hugging Face
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