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repair_adduct_and_parent_mass_based_on_smiles does two things. Setting the parent mass to match the smiles mass and repairing the adduct. I suggest splitting this in two different filter functions:
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Binaries with the parameters ('stripped_He_Central_He_depleted', 'H-rich_Core_H_burning', 'RLO1', 'oRLO1') are failing because they are not handled in the flow. An example of one such binary:
```
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I was wondering if you might be able to provide any insights to my following problem.
We receive chemical compound formulae from some Mass Spec software (`Maven` or `El Maven`). There's always a c…
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### 🐛 Describe the bug
**There is an error in the handling of the isotopes of NO2.**
**Error 1: In the molparam.txt file:**
The data format should be:
```
id iso isoname abundance Q_296K …
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Including (but not limited to), modified cosine score, neutral loss match score, and the updated cosine score.
This can be used very generally, and updated in the GUI, but was originally devised as…
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In my work I need to extract the dynamical model from SOFA, i.e. extracting mass and stiffness matrices from SOFA. I follow the SOFA instructions which use "mass_matrix = root.mass.assembleMMatrix()" …
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When mass repair/mass salvage is used, it reports in the activity log like this:
```
Mass Repair/Salvage complete for 4 units.
- 4 units had no actions performed because there were no valid part…
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**Describe the bug**
HDR is blown out in 2 specific games from the same series, Battlefield 1 and Battlefield 5, both of which are using the same engine and HDR-setup.
This behavior is observed whi…
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Workflow
The search engine definitely plays the most important role in the peptide identification process. As illustrated below, what the search engine itself does is bascically first in silico diges…
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### Description
Currently, Aviary does not support aircraft with only fuselage engines. The default_value for aircraft:engine:num_wing_engines is 0 and the default _value for aircraft:engine:wing_loc…