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IDSL.FSA - MaRDI portal

IDSL.FSA

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Software:79844



CRANIDSL.FSAMaRDI QIDQ79844

Fragmentation Spectra Analysis (FSA)

Dinesh Kumar Barupal, Sadjad Fakouri Fakouri-Baygi

Last update: 29 June 2023

Copyright license: MIT license, File License

Software version identifier: 1.0, 1.1, 1.2

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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