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Added support for MSP output #99

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@jgriss jgriss commented Aug 29, 2020

Main new features:

  • Central storage for all clustering parameters
  • Added storage of original peaks as spectrum property
  • Added interface to create consensus spectra (currently 1 implementation AverageConsensusSpectrum
  • Added infrastructure to store clustering results in different formats (currently 1 implementation: MSP) (fixes Add converter for spectral library format(s) #86)

@jgriss jgriss added the enhancement New feature or request label Aug 29, 2020
@jgriss jgriss requested a review from ypriverol August 29, 2020 19:52
@jgriss jgriss self-assigned this Aug 29, 2020
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@jgriss the unite tests are failing.

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jgriss commented Aug 30, 2020

@ypriverol Yes. If you look at the log, the issue is:

/home/runner/work/spectra-cluster-2/spectra-cluster-2/src/main/java/org/spectra/cluster/consensus/AbstractConsensusSpectrumBuilder.java:[81,79] cannot find symbol

The new snapshot of the pgtk-io package isn't deployed correctly and it's still using the previous one. It's the feature I added in my latest PR.

@ypriverol ypriverol closed this Aug 30, 2020
@jgriss jgriss deleted the develop branch September 1, 2020 13:04
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Add converter for spectral library format(s)
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