ToF-SIMS Microarray Dataset - Blue and Red Dyes

Full description

Original article: Exploring the Performance of Linear and Nonlinear Models of Time-of-Flight Secondary Ion Mass Spectrometry Spectra. DOI: 10.1021/acs.analchem.4c00456

The dataset contains 1008 Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) spectra for a microarray system of blue and red dye mixtures with 21 different v/v ratios (evenly spaced from 0% Blue : 100% Red to 100% Blue : 0% Red).

The MATLAB workspace save file (.mat) contains the following stored variables:

1. 'array_data_pos' - positive ion polarity spectra of the microarray (matrix)
2. 'array_data_neg' - negative ion polarity spectra of the microarray (matrix)
3. 'pk_lbls_pos' - mass to charge ratio (m/z) values for the positive spectra (vector)
4. 'pk_lbls_neg' - mass to charge ratio (m/z) values for the negative spectra (vector)
5. 'class_lbls' - concentration values (% blue) for each spectrum in the dataset (vector)

Note: the spectral data has been sum normalized to total ion count (per spectrum).