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I tried to use the pipeline command but got an error from the spectral counts component:
```
FATAL: The NSAF and dNSAF computation for spectral-counts requires that the --protein-database option s…
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**Is your feature request related to a problem? Please describe.**
I'm always frustrated when I know a fragmented species corresponds to, for example, [+1M+H]+ instead of [M+H]+ but I cannot take thi…
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Nice edge case: Naturally occurring (abundance 0.012%) metastable, but observationally stable isotope 180m1Ta is lacking in your table. Thus abundancies do not add to 100%
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For the attached Renewal Rates and Isotopes, the local version of OsteoBioR (24.1.1) crashes when the model has run.
[Isotopes.xlsx](https://github.com/user-attachments/files/16285627/Isotopes.xlsx)…
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In development branch, running IsotopeGenerator fails for unknown modifications and new nomenclature with "_" instead of " " (e.g. @Any_N-term instead of @Any N-term), but it works if you set threads …
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PerformPeakAnnotation is taking too long, is something wrong, only 5 sample tests were taken.
Generating EIC's....
Detecting NEG_Sample01.mzML ... 1816 peaks found!
Detecting NEG_Sample02.mzM…
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Hi,
I wonder what is the source of the isotope mass values in the Blue Obelisk.
The most recent dataset I found is [AME2012](http://iopscience.iop.org/article/10.1088/1674-1137/36/12/003/meta). The …
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### Contact details
ospereir@ucsd.edu
### Dataset Title
Stable isotope data of invertebrates off the Southern California Borderland
### Describe your dataset and any specific challenges or blocker…
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**Describe the bug**
Canonicalizing a molecule with implicit-ized isotopic Hs removes the stereo that those deuteriums might induce. The implicitization of these Hs is necessary to overcome the issue…
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Hello,
I've got an issue with isotope metafizzy filters combination.
I'm building a line-up for concerts and meetings. And for example i have a band that plays in London on Wednesday and in Wash…