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**What happened:** Received a KeyError: 'T1_array' when computing (ODNP) hydration parameters (following example from http://dnplab.net/dnpHydration.html). After inputting my parameters, creating the …
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## *Hosting Request*
Use this to request hosting of an already registered lab or experiment. If the lab or experiment is not registered, please do that by raising a registration request.
- **Hos…
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**Is your feature request related to a problem? Please describe it.**
Setting `foldmethod=syntax` in bib files (provided by vim8.2's built in syntax file) gives nice folding, but the default fold t…
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Hello ! Just discovered this package; great to see more open-source tools for spectroscopy !
I try to maintain a list of relevant spectroscopic packages here : https://github.com/erwanp/awesome-spe…
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## Synthesis of ferrocenylmethanol
Link to [HIRAC](https://au-mynotebook.labarchives.com/share/Burrell-Sander_Klementine_kbur3804_Hons/MTI3LjR8MTA3NTIwLzk4LTIxMS9UcmVlTm9kZS8zOTIyNjkzNzl8MzIzLjQ=) …
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**What happened**: Received an error when writing my own dnpLab script for plotting NMR data and calculating DNP enhancement. I am able to plot NMR spectra, following the example scripts: "01 - DN…
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Orca 3.0.0 runs fine with qcxms v5.1.1, but with ORCA 5.0.1 there is an error.
````
Program Version 5.0.1 - RELEASE -
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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We are working with the Disordered Protein (DisProt) database to enter new terms into ECO to correspond to DisProt's Detection Methods.
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- [x] to create a document consolidating all the ‘hard coded’ strings in ISA-API (mostly protocol.type.term )
protocol type required strings | hard requirement in the ISA-API |
-- | -- | --
So…
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Using
```
\documentclass{article}
\usepackage[T1]{fontenc}
\usepackage[utf8]{inputenc}
\usepackage{lmodern}
\usepackage{chemmacros}
\chemsetup{modules={spectroscopy}}
\begin{document}
\…