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Dear developers,
I am a newbie about PySCF, but I found it is pretty useful with a lot of attractive features. By following examples in the tutorials, I successfully ran a few basic examples using …
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I think that nmrglue can currently not directly read JEOL NMR data (jdf files). It would be cool if that could be also implemented, similiarly to Bruker/Varian/etc.
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- [ ] def: An analytical method used in NMR spectroscopy defined by the class of pulse sequence and number of dimensions.
- [ ] import [OBI:NMR spectroscopy assay](https://terminology.nfdi4chem.de/ts…
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I've just been going through the NMR analysis module and noticed the comment about the sign inconsistency across the two papers referenced. I'm not sure there _is_ a sign inconsistency between the pap…
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File "d:\users\tkeller\repositories\dnplab\dnplab\processing\fft.py", line 93, in fourier_transform
nmr_frequency = out.attrs["nmr_frequency"]
~~~~~~~~~^^^^^^^^^^^^^^^^^
K…
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Encountering an issue accessing the webpage located of all "http://nmrml.org/nmrCV#".
Attempts to open the page result in a failure to fetch the URL. This problem is seen regardless of the browser…
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Hye
Is it possible to re-enable H1-NMR prediction spectrum in molview. That would be great.
Thank you so much.
Gwendal
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Hi
Actually We are trying to make one low field NMR for college students with spectroscopy functionality. We have RP-125 and tested few things. Can we use MARCOS with full functionality with RP-125…
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**MYOS432** analysed by NMR and LCMS on March 2024 when students and teachers visited UCL School of Pharmacy.
![MYOS432](https://github.com/OpenSourceMycetoma/Series-2-Aminothiazoles/assets/146206920…