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Split MSP into collection of individual spectra #219

Closed
Tracked by #218
hechth opened this issue Feb 4, 2022 · 0 comments · Fixed by #234
Closed
Tracked by #218

Split MSP into collection of individual spectra #219

hechth opened this issue Feb 4, 2022 · 0 comments · Fixed by #234
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@hechth
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hechth commented Feb 4, 2022

After an initial discussion, we decided to implement a galaxy tool based on matchms which can handle this. There is a galaxy tool available with similar basic functionality here, but it doesn't have the functionality to identify where a spectrum starts and ends. Since implementing this would be quite time consuming, we can use the functionality of matchms to achieve this faster.

The tool should read an MSP file using matchms into a spectra list, and then create an output file for each spectrum and return this in a dataset collection.

@hechth hechth mentioned this issue Feb 4, 2022
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@wverastegui wverastegui linked a pull request Mar 18, 2022 that will close this issue
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