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The value of `deltaTime(0)` is negative after `STKDiscretization::writeSolution(...)` is called. I think this may be from `workset.current_time` being set to zero after the write [here](https://github…
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Extracted from https://github.com/joomla/coding-standards/pull/109#issuecomment-268876448
- [x] In the ruleset.xml there are some pear rules with adjusted messages that we either need to accept mes…
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I tried to run opendrop using the command:
``python -m opendrop``
But I got the error:
from .colorize import *
ModuleNotFoundError: No module named 'opendrop.features.colorize'.
I don't know how…
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The current `Modelica.Fluid.Machines.SweptVolume` has a single `Flange_b` and an arrow, but is missing a `Flange_a`.
I tried to make a model where one `SweptVolume` drives another one, such that th…
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[log_2024-06-19_10-51-42.zip](https://github.com/user-attachments/files/15898278/log_2024-06-19_10-51-42.zip)
Hi,
I am using FragPipe 22.0 on a triplex plexDIA (L=+28, M=+32, H=+36 Da, semi-spec…
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I am looking for something like this but written in GO. Not necessarily all the functionality but just a library that fetches the data from the thermo/hygrometers to store as CSV (no plotting).
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Hi all,
I'm posting not so much an issue but more fishing for some insight (apologies if its not the appropriate forum).
Below is a screenshot of same scan, m/z and rt of a data collected on an…
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### Bug Description
When generating mechanisms for surface reactions, there is a bug in the naming of the species in the output file. RMG used to replace the SMILES string of the species for example …
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**- Upload your log file**
(If a log file hasn't been generated, go to the 'Run' tab in FragPipe, click 'Export Log', zip the resulting "log_[date_time].txt" file to avoid truncation, then attach the…
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Hello!
I am trying to analyse some BoxCar DIA files that were generated on a Thermo instrument (Eclipse). FAIMS was used but only at one CV. The isolation windows are non-staggered (see table), and a…