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Topic: suspect bug in MS-DIAL - GNPS Export (Read 3689 times) previous topic - next topic

suspect bug in MS-DIAL - GNPS Export

To MS-DIAL users
FYI, TL;DR  - be careful if you use the GNPS export options (the normal Alignment export seems fine).
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I am experiencing issues with GNPS Export function (in v.4.9 and 4.92).
It used to be that the Spectra (mgf) and Feature Table between normal export and GNPS export were almost the same,
except for that GNPS files had the exclusion of the very first feature (alignment “0”) and the removing of all the stats form the quant table.
However, now the generated mgf spectra are very different in sizes, and also the list of features in the tables is different.
Note: this seems to be an issue if you export while using the option “filter for ion abundances”.
It looks like the GNPS table is actually the features that are excluded from the normal MS-DIAL table.
There seem to be a bug that makes these two in conflict.
When tested  the export without the blank filter option, the two matrices correspond.
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I already notified Hiroshi&MS-DIAL team
 
Stefano

 

Re: suspect bug in MS-DIAL - GNPS Export

Reply #2
Thanks Hiroshi for your prompt fix! :)

Best

Stefano