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The different flavors of MSP files (RIKEN, NIST, matchms, Spectra, etc.) should be interconvertible using matchms. There is current ongoing development for this issue - we should improve there and then implement a simple Galaxy tool which handles this.
Our internal representation of MSP files should likely be the matchms one.
Add boolean input for whether to apply metadata harmonization or not
Add boolean input on whether to export peak comments or not
If msp is chosen as output format, expand a new condition choosing the msp flavor with options matchms, NIST, RIKEN and MassBank
The text was updated successfully, but these errors were encountered:
hechth
changed the title
Add tool to convert between different MSP styles
matchms convert: Add different MSP styles as options and improve the tools
May 22, 2023
The different flavors of MSP files (RIKEN, NIST, matchms, Spectra, etc.) should be interconvertible using matchms. There is current ongoing development for this issue - we should improve there and then implement a simple Galaxy tool which handles this.
Our internal representation of MSP files should likely be the matchms one.
msp
is chosen as output format, expand a new condition choosing the msp flavor with optionsmatchms
,NIST
,RIKEN
andMassBank
The text was updated successfully, but these errors were encountered: