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Python wrapper of metfrag for ms/ms based identification of LCMS data

Project description

This libraries wraps Metfrag. It needs pandas installed and works nicley with emzed, though emhed is not mandatory.

MetFrag is a freely available software for the annotaion of high precision tandem mass spectra of metabolites which is a first and critical step for the identification of a molecule’s structure. Candidate molecules of different databases are fragmented in silico and matched against mass to charge values. A score calculated using the fragment peak matches gives hints to the quality of the candidate spectrum assignment.

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0.5.1

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0.5.0

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0.4.4

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0.4.3

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0.4.2

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0.4.1

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0.4.0

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0.3.0

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0.2.0

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0.1.0

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0.0.2

This version
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0.0.1

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