r-idsl-fsa 1.2
Channel: guix-cran
Home page: https://github.com/idslme/idsl.fsa
Licenses: Expat
Synopsis: Fragmentation Spectra Analysis (FSA)
Description:
The IDSL.FSA package was designed to annotate standard .msp (mass spectra format) and .mgf (Mascot generic format) files using mass spectral entropy similarity, dot product (cosine) similarity, and normalized Euclidean mass error (NEME) followed by intelligent pre-filtering steps for rapid spectra searches. IDSL.FSA also provides a number of modules to convert and manipulate .msp and .mgf files. The IDSL.FSA workflow was integrated in the IDSL.CSA and IDSL.NPA packages introduced in <doi:10.1021/acs.analchem.3c00376>.
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