Replication data for the publication: "rSIREM: an R package for MALDI spectral deconvolution" by Del Castillo Pérez et al. The deposited data are SALDI-MSI data of three consectutive thin tissue sections from mouse cerebellum measured at the different mass resolutions at the same instrument (MALDI-MSI: Spectroglyph Injector - Orbitrap Exploris). The paper describes a new R package (rSIREM) to computationally improve the mass resolution of an MSI post-measurement. The developed R package (https://github.com/EdelCastillo/rSirem ) applies a statistical treatment on the concentration of spatial images obtained by separately considering each of the m/z over all the pixels. A representative scalar is associated with each image, obtained by applying a new measure (SIREM) to it, derived from Shannon's entropy. The perturbations of this measure, when considering a sequence of consecutive images, reveal the existence of overlap, if it exists. This information serves as a seed to initialize the EM algorithm in the Gaussian Mixture Model context. The efficiency of the method has been verified using three independent procedures.

Data in the open MSI format imzml+ibd https://www.ms-imaging.org/imzml/