chrispook

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icon company Liggins Institute, Auckland University icon location Auckland, New Zealand icon location @drchrispook - Chemical ecology, analytical chemistry, toxicology, metabolism, physiology, chemoinformatics, bioinformatics, mass spectrometry, chromatography

Results 4 comments of chrispook

Mistakes in fragmentation tree and output spectra labels

Hello, I am trying out SIRIUS on my DIA data as an alternative to MS-FINDER, which can be very slow (weeks) with thousands of features. Can you clarify what you...

Update msdial_formatter.py

Sure, how do I share the file? Shall I upload it to massive? Very much agree on backwards compatibility. I'm not sure what version your existing script was written for...

Update msdial_formatter.py

A small problem, Ming. I've already converted my data to the format FBMN seems to expect, according to the column headers specified in your script. However, it still seems to...

Update msdial_formatter.py

There's an MS-DIAL example file called MS-DIAL_v4.70_export_HILIC_POS_Area_0_20218181223.txt in the root of my massive storage folder.