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Information required in clustering format #2

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jgriss opened this issue May 8, 2015 · 0 comments

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jgriss commented May 8, 2015

This issue is intended to collect the information that needs to be captured in the clustering file.

A first suggestion:

Metadata:

Used algorithm, version, settings
Links to external files

Clusters:

Precursor m/z, charge
Reference to consensus spectrum in external peak list file
Number of clustered spectra

Clustered Spectra:

Link to cluster
Reference to spectrum in external peak list file
Similarity (f.e. p-value) to the cluster / consensus spectrum

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