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Time: May 2nd (12 noon UK, 1pm EU, 11pm Aus) [Timezones](https://www.timeanddate.com/worldclock/meetingtime.html?day=2&month=5&year=2023&p1=43&p2=136&p3=37&p4=771&p5=235&p6=152&p7=770&p8=250&p9=196&p1…
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This is an abuse of issue tracker. Please comment it to add your use cases.
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The Chase Hop1 (pictured below) compound was the most popular voted compound during the recent online meeting (#386).
ClC(C=C1)=CC=C1C2=NN=NN2C3=CN=CC(OCCC4=CC(F)=C(F)C=C4)=N3
InChI=1S/C19H13ClF2N6O/…
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Here, the database of Benzoxazoles is updated.
[25082024 series5 benzoxazoles database.xlsx](https://github.com/user-attachments/files/16975496/25082024.series5.benzoxazoles.database.xlsx)
@Andre…
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Hi Dr. Chure, this is a great tool that I'd like to integrate into my GC-MS data pipeline. Now as you can imagine, the overlapping peaks were handled separately by cutting the overall shape from the m…
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Hello,
I keep getting this error message when trying to use fit_peaks:
ValueError: `x0` is infeasible.
I am able to run signal.find_peaks correctly like here.
https://cremerlab.github.io/hpl…
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New S03 requested to assist in creation of P01 for 'total hydrolysable amino acids'.
Methods from metadata submission:
'Whatman glass fibre filter (GF/F, 25 mm diameter, 0.7 µm pore size), prec…
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Applying the presented workflow leads to insufficient results regarding this data set ([chromatogram1.csv](https://github.com/user-attachments/files/15806002/chromatogram1.csv)). I already tried to ma…
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Link to [HIRAC](https://au-mynotebook.labarchives.com/share/Burrell-Sander_Klementine_kbur3804_PhD_Hons/MTQ5LjV8MTA3NTIwLzExNS0yNDIvVHJlZU5vZGUvNDI0MzE5Njk3MXwzNzkuNQ==), [original method](https://pub…