nmrpy

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phasing

5

Hello, I'm trying to use nmrpy to handle an array of solid state T1rho data. While the original data has been phased using topspin, I'm struggling to get the spectra...

ReinerD

Plotting

1

Helo, Can I plot 2 different spectra on superposition? I only found the plot_array function, but I would like to compare two different spectra by plotting them on the same...

AdriennR

Deconvolution

3

Hi, So I have been trying to deconvolve some 1D spectra and it works nicely, but usually when deconvolution is done, or other types of fittings, you can fix some...

AdriennR

How to import multiple Bruker 1D spectra

8

Hi, I triead reading and processing multiple raw 1D Bruker NMR spectra with NMRpy. Bruker fids are orinally located in specific subfolders es "1" (i.e the original Topspin EXPNO number)...

Ricmelis80

Add NMR data model, integration with EnzymeML, and peak assignment features

6

- Add [`md-models`](https://github.com/FAIRChemistry/md-models)-based research data model for NMR - Collect NMR parameters from instrument metadata - Record processing steps preformed in NMRpy - Save both the raw data and the...

torogi94

Bumps [pypa/gh-action-pypi-publish](https://github.com/pypa/gh-action-pypi-publish) from 1.4.2 to 1.13.0. Release notes Sourced from pypa/gh-action-pypi-publish's releases. v1.13.0 [!important] 🚨 This release includes fixes for GHSA-vxmw-7h4f-hqxh discovered by @​woodruffw💰. We've also integrated Zizmor to catch...

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