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mzmine / mzmine

mzmine source code repository
https://mzmine.github.io/mzmine_documentation/
MIT License
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Error in alignment & saving of GCMS data #948

Closed ajburx closed 11 months ago

ajburx commented 2 years ago

Basic information

What happened

After successful hierarchical deconvolution of GCMS data files I am unable to save the MZmine project or carry out alignment using ADAP aligner (GC). Screenshots of errors are attached. I am unable to upload MZmine project file as I cannot save one, however a raw data file link is below. I'm not able to generate a log as the program crashes at the error

Raw data

Error when saving: Saving error

Error when running ADAP aligner: Alignment error

asmirn1 commented 2 years ago

@ajburx Could you try the latest development build: https://github.com/mzmine/mzmine3/releases/tag/Development-release

We fixed a few GC-related issues in it. Let us know whether it works for you or now.

Alex

ajburx commented 2 years ago

@asmirn1 Thank you for taking a look. I still have the save and alignment issue with the latest dev. build unfortunately.

asmirn1 commented 2 years ago

@ajburx It turns out we are still working on fixing it. I'll let you know when it's fixed.

gistamayo commented 2 years ago

Still I get the same error as initially. SD seems OK now. Screen Shot 2022-11-02 at 14 02 43.

asmirn1 commented 2 years ago

@ajburx @gistamayo

We've made some fixes for the alignment in development version: https://github.com/mzmine/mzmine3/releases/tag/Development-release

Could you try it?