tof-sims-analyzer

# ToF-SIMS Analyzer ## Purpose The ToF-SIMS Analyzer skill provides molecular-level surface analysis capabilities for nanomaterials, enabling identification of surface species, chemical imaging, and depth profiling with high sensitivity. ## Capabilities - Molecular ion identification - Surface contamination analysis - 2D and 3D chemical imaging - Isotope labeling detection - Depth profiling - Principal component analysis of spectra ## Usage Guidelines ### ToF-SIMS Analysis 1. **Spectral Analysis** - Identify characteristic fragments - Build peak lists for materials - Apply multivariate analysis 2. **Imaging Mode** - Optimize spatial resolution - Generate chemical maps - Correlate with topography 3. **Depth Profiling** - Select appropriate sputter source - Monitor interface sharpness - Account for matrix effects ## Process Integration - Multi-Modal Nanomaterial Characterization Pipeline - Nanomaterial Surface Functionalization Pipeline ## Input Schema ```json { "sample_id": "string", "analysis_mode": "spectral|imaging|depth_profile", "primary_ion": "Bi3+|Bi1+|C60+", "polarity": "positive|negative", "area_of_interest": {"x": "number", "y": "number"} } ``` ## Output Schema ```json { "identified_species": [{ "mass": "number (amu)", "assignment": "string", "intensity": "number" }], "chemical_maps": [{ "species": "string", "image_path": "string" }], "pca_results": { "principal_components": "number...