SLECS Data Release v1.0
This dataset accompanies the manuscript describing the SLECS workflow, a feature-structured representation paradigm for MS² data analysis enabling the discovery of novel natural product scaffolds. The archive contains: • Raw LC-MS/MS datasets used in this study (.mgf forma
This dataset accompanies the manuscript describing the SLECS workflow, a feature-structured representation paradigm for MS² data analysis enabling the discovery of novel natural product scaffolds.
The archive contains:
• Raw LC-MS/MS datasets used in this study (.mgf format);
• Processed outputs generated throughout the SLECS workflow, including optimized fragment matrices (V matrices), filtered matrices, transformation annotations, and NMF decomposition results (W/H matrices);
• Figure source data used to reproduce the figures presented in the manuscript;
• Jupyter notebooks containing scripts required for figure reproduction.
The package is intended to facilitate transparency, reproducibility, and re-use of the SLECS framework for mass spectrometry-based natural product discovery.
The complete implementation of SLECS Explorer is available at:
https://github.com/daffodils520/SLECS-Explorer
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Files are hosted on the source repository. Click download to access the full dataset.