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rietho / IPO

A Tool for automated Optimization of XCMS Parameters
http://bioconductor.org/packages/IPO/
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Step/increment issue #46

Closed Brainpiercing closed 7 years ago

Brainpiercing commented 7 years ago

I'm trying to do an optimization of all kinds of parameters for data from LC-Orbitrap-MS, and IPO gets stuck in a loop on the ppm step for centWave. I want to optimize between 1 and 3 ppm, and it's actually trying 2.7 and 4.7 ppm and just switching between those two non-stop.

So I'm guessing there is an issue with the step size for incremental optimization when small steps are necessary.

rietho commented 7 years ago

Thank you for sharing this issue. Can you reproduce this behaviour with data from some package (e.g. faahKO or msdata)?

rietho commented 7 years ago

@Brainpiercing How about your issue? Can you provide more info? (e.g. the output from IPO, the sessionInfo() and in the best case also your data)

rietho commented 7 years ago

Due to no updates for several months, I'll close this issue. If there are any new infos, you're welcome to reopen the issue.