Information required in clustering format

[jgriss]

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