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Results for fasta sequence sld estimates differ from those for the [Bio SLD calculator](http://psldc.isis.rl.ac.uk/Psldc/).
See https://github.com/SasView/sasmeta/issues/3
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In testing branch 4.1.1_issues which contained the point release tags 4.1.1 and 4.1.2 I noticed that somewhere along the line some DEBUG option somewhere seems to have been turned on so that PIL now s…
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CHEBI:41981 has formula "D2O" in ChEBI1.0, but in ChEBI2.0 it is being calculated as "H2O"
Note: _both ChEMBL and PubChem also report it as H2O_
Need to investigate if this is a bug or expecte…
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The list of solvents-reference values for 1H NMR data needs to be corrected for D2O (deuterium oxide as given in the list):
Please change: "deuterium oxide" -> "D2O" (in the dropdown list/selection …
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In this case, missing quant values for the D5 peak:
![maven_isotope_widget_bug](https://user-images.githubusercontent.com/1757701/198364359-645e0732-8f6b-49a0-b0cf-b8ace995539e.png)
Note that …
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### Describe the bug
It appears that due to Element state in my account (edit: that's not the cause, not sure what it is then), Nheko is unable to actually finish the initial sync.
### To Reprod…
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#### 1H:
- The list of solvents-reference values for 1H NMR data needs to be corrected for D2O (deuterium oxide as given in the list):
Please change: "deuterium oxide" -> "D2O" (in the dropdown list…
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**What happened**:
For a particular pseudo-2d dataset (DNP Profile) I found that I need to make the first order phase correction very high (>10,000) in order to remove wiggly baseline issues in the p…
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The repo size is 1.12Gb.
Remove the files just like it has never been commited.
https://stackoverflow.com/questions/35115585/remove-files-completely-from-git-repository-along-with-its-history
*…
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Trying to plot data extracted from a csv file but faced with an error:
![image](https://github.com/ClapeyronThermo/Clapeyron.jl/assets/149005168/48797cfe-ce3c-434e-9855-4c02e773d16f)
![image](https:…