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Here is our proposal for a CTV on Archaeological Science. We have organised the proposal into the sections requested in the instructions (scope, packages, overlap, maintainers):
_Scope_:
Archa…
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### Basic information
* My operating system:Windows 11
* My mzmine version: 3.6.0
My problem:
1.When I need to export the feature list, the 'file name' cannot be selected. Do I need to create t…
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Just to start the discussion....
Taking a look at the Gaussian NMR page, I see there are options for different gauge origins and methods. Do we parse all of them, similar to how we handle atomic char…
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Hi there,
I am writing a method to read in an mzml file as part of a de novo peptide sequencing pipeline, and am using the controlled vocabulary functionality documented [here](https://pyteomics.re…
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Hello, I was trying to cluster mzXML files from https://massive.ucsd.edu/ProteoSAFe/dataset.jsp?task=88a7dfeeecb74131a6d6bfb7a9db0a46 in WSL:Ubuntu-22.04 but it does not seem to recognize any spectra.…
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### Basic information
* My operating system: Windows 10
* My mzmine version: 3.3.0
### I have followed these steps in sequence for mzML files.
Mass detection, ADAP chromatogram builder, chro…
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Hi Phil,
I am starting to use PAW pipeline in my TMT studies. The transparency of the workflow and the flexibility is awesome! Although I am not acquainted with Python scripts, I think it is possible…
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**Describe the bug**
Some atomic primitive SMIRKS have inconsistent semantics in RDKit vs. OpenEye toolkit.
(Note: None of the specific primitives I'm reporting are used in `Parsley`, so this issu…
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The following await decision making once a first-pass attempt has been given.
* Labels for systematics & collections.
* Photo measurement correction (from coins, scales, etc...).
* Extract size o…
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Error:
```
➜ school-website git:(master) ✗ npm run dev
> sms-frontend@1.0.0 dev
> NODE_ENV=development node_modules/.bin/webpack --mode develop…
ghost updated
2 years ago