Processed ToF-SIMS peak data (m/z 50-250) for "Integrating ToF-SIMS and machine learning reveals a mammary tumor-associated multi-ion signature"

Processed peak data accompanying the study Integrating ToF-SIMS and machine learning reveals a mammary tumor-associated multi-ion signature (Manaprasertsak et al.). Using time-of-flight secondary ion mass spectrometry (ToF-SIMS) with multivariate and machine-learning analysis, low-mass ion signatures (< 250 m/z) are characterised in the MMTV-PyMT mouse model of breast cancer to test whether a mammary tumor multi-ion signature can be detected in peripheral samples — mammary gland, fur, liver, and serum from the same animals. Positive-ion spectra were recalibrated, denoised, baseline-corrected, TIC-normalized, and peak-detected/aligned over m/z 50-250. This archive contains the aligned peak-area and peak-intensity matrices (341 spectra across mammary gland, fur, liver, and serum) and the per-spectrum detected-peak list. peak_area_table_new.txt — aligned peak-area matrix (tab-delimited): Index, Tissue, Mouse, Spot, Group + 313 m/z columns. peak_intensity_table.csv — aligned peak-intensity matrix (same rows and features). all_detected_peaks.csv — per-spectrum detected-peak list (PeakCenter, PeakWidth, Prominences, Amplitude, PeakArea). Analysis code: https://github.com/ershisan25/tofsims-breast