Steffen Neumann

can I have the cut&pasteable code snippet you used ? Yours, Steffen

Whoa, that was lightning fast :-) If I had gone through my mails in different order of folders, I might've found it :-) Thanks everyone ! Yours, Steffen

Hi, thanks for reporting. Is there a way you can reproduce this with the faahKO data ? If so, we could include this as test case and fix what's broken....

Which vendor ? Yours, Steffen

Hi, the function expects strictly ordered RT for spectra. Could it be that you output integers as RT, and that two consecutive spectra have the same value ? Can you...

Hi, I just realised that possibly the PR #732 by @philouail might solve a similar use case to yours ? Yours, Steffen

Hi, `xcmsSet` is quite deprecated, without any recent developments and in case we find issues with it, we are rather going to remove it than to fix it. So we...

Hi, great, that identifies the parallelisation as underlying cause. If you need a speedup because you run large studies on the laptop, you'll need to troubleshoot the BiocParallel stuff. Please...

Also depends on your instrument and settings. The W4M team also has great tutorials using xcms behind the scenes https://workflow4metabolomics.org/howto, including https://download.workflow4metabolomics.org/docs/w4e2018/2018-10_EC_W4E%20-%20MSprocessing_GC-MS_processing.pdf Yours, Steffen

Hi, thanks for that PR! - [ ] Can you confirm the generated mzTab-M validates with https://apps.lifs-tools.org/mztabvalidator/ ? - [x] Can you also confirm import works with `mztab