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Add converter for spectral library format(s) #86

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jgriss opened this issue Apr 12, 2019 · 3 comments
Open

Add converter for spectral library format(s) #86

jgriss opened this issue Apr 12, 2019 · 3 comments
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@ypriverol @jgriss
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enhancement New feature or request
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0.2

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jgriss commented Apr 12, 2019

Summary

Create a tool that converts the current .clustering results into commonly used file formats

File Formats

  • MSP
  • MGF
  • mzML

Filter options

  • minimum cluster size
  • minimum / maximum number identified spectra
  • minimum / maximum number unidentified spectra
  • min identified ratio
  • min purity
@jgriss jgriss added the enhancement New feature or request label Apr 12, 2019
@jgriss jgriss added this to the 0.2 milestone Apr 12, 2019
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jgriss commented Apr 12, 2019

Add this functionality as a separate class next to the current ClusteringTool.

@jgriss jgriss self-assigned this Apr 12, 2019
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jgriss commented Apr 12, 2019

Move writing logic to pgtkio

@jgriss jgriss mentioned this issue Aug 29, 2020
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jgriss commented Sep 1, 2020

As a note: This should be a stand-alone tool in order to apply the mentioned filtering options.

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enhancement New feature or request
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0.2
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Added support for MSP output jgriss/spectra-cluster-2
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@ypriverol @jgriss