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Description
Some general chemical suggestions to increase the addon deapth (not going head first into GregTech style tho).
Suggestions:
- Compound burner: a block that, when connected to a …
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In some cases a chromatographic peak is comprised of two distinct MS2 spectra that are separated in RT, but are completely co-eluting as a single peak group with only 1 maximum.
This is a low-prio…
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This meeting follows on from the previous meeting (#28)
When: Tuesday 29th September 2020 at 4 pm AEST (Sydney, Australia)
Where: Held through Zoom
Who: @fantasy121, @kym834, @wwjvdsande, @M…
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This isn't a proper issue, but a proposal for a better use of the "gas resistence" value obtained by BME680 reading.
This piece of hardware can sense the VOC (Volatile Organic Compounds) in the air, …
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Am I missing something or is there no way to access to NIST's breast tissue datas with the script?
I can't find anything under `xrl.GetCompoundDataNISTList()` relatable to this [link](https://physics…
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```
What steps will reproduce the problem?
1. Running "Identify Compounds" for backward search
2.
3.
What is the expected output? What do you see instead?
No double entries for chromatograms and peak…
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I have now completed the Spectra match and got the results.
Now I want to use the `plotSpectraMirror` function to plot all these compounds, but I am not sure how to check that these matched spectra c…
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It looks like this brick is a tox21 brick? In any case comptox.epa.gov has a lot of data that isn't present in this brick. For example, this table associated compounds with hazards is available on the…
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Hi,
I've just wanted to try to score compounds using your NaPLeS web interface, but neither the upload file nor the parse smiles string inputs are working (infinite loading...).
Could you try to l…
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**Date**: August 9th 2022
**Time**: 2pm UK time ([other times](https://www.timeanddate.com/worldclock/meetingdetails.html?year=2022&month=8&day=9&hour=13&min=0&sec=0&p1=43&p2=136&p3=37&p4=771&p5=235&…