DOI: 10.6084/m9.figshare.23682429.v1
title: Dataset for "Learning heterogeneous reaction kinetics from X-ray movies pixel-by-pixel"

description: This is the raw data for the paper "Learning heterogeneous reaction kinetics from X-ray movies pixel-by-pixel". The MAT-file contains two variables: 1. 'stxm' is a structure array that contains all the STXM data. Each entry contains the STXM images scanned over one region, which may contain one or two particles. stxm contains the following fields: name: the name of the scanned region. scan: the scan number for all frames associated with this region. date: the date of the experiment. time: the time of the scan. lfpmat: the intensity of LiFePO4 (the variable 'a' in SI Eq. 112). The first two dimensions are image coordinate (x and y). The third dimension is the frame index, whose length is equal to the length of 'scan'. fpmat: the intensity of FePO4 (the variable 'b' in SI Eq. 112). The first two dimensions are image coordinate (x and y). The third dimension is the frame index, whose length is equal to the length of 'scan'. segment: a cell in which each entry is frame indices associated with a charge or discharge half cycle. boundary: a cell in which the <em>i</em>-th entry is the image coordinates of the boundary of particle <em>i</em> in this region. The first and second columns are the x and y coordinates, respectively. roi: a cell in which the <em>i</em>-th entry is the region-of-interest (ROI) of particle <em>i</em> in this region. The ROI is a logical array in which 1 indicates a pixel inside the particle and 0 indicates a pixel outside the particle. Area: the area (in number of pixels) of the particles in this region. Centroid: the image coordinate of centroid of the particles in this region. Each row corresponds to a particle. The first and second columns are the x and y coordinates, respectively. Orientation: the angle between the particles' major axis and the x-axis in degrees. MajorAxisLength: the length of the particles' major axis defined by the second moment of the ROI. MinorAxisLength: the length of the particles' major axis defined by the second moment of the ROI. Crate: the global C-rate of the charge or discharge half cycle(s) measured for the entire cell. Its length is equal to the length of 'segment'. avg: a cell in which the <em>i</em>-th entry is the average Li fraction of particle <em>i</em> in all the frames. var: a cell in which the <em>i</em>-th entry is the variance of the Li fraction of particle <em>i</em> in all the frames. avgrate: the average local C-rate of the particles defined to be the change in average Li fraction over the duration of the half-cycle. Each row corresponds a particle. Each column corresponds to a half-cycle. avgrate(i,j) is the average local C-rate of particle <em>i</em> during half-cycle <em>j</em>. inversion_Li_frac: the simulated Li fraction from the inversion result as shown in Fig. 2, SI Fig. 57, and SI Movie 1. inversion_Li_frac{i}{j} is the simulated Li fraction field of particle <em>i</em> during half-cycle <em>j</em>. The first two dimensions are image coordinates (x and y) (the sizes are the same as the first two dimensions of lfpmat and fpmat). The third dimension is the frame index whose length is equal to the length of segment{j}. The value outside the ROI is NaN. inversion_k: the inverted heterogeneity k(x,y) as shown in Fig. 3b and Fig. 55. inverson_k{i} is the inverted k(x,y) of particle <em>i</em>. The two dimensions are image coordinates (x and y) (the sizes are the same as the first two dimensions of lfpmat and fpmat). The value outside the ROI is NaN. 2. 'aem' is a structure array that contains all the AEM data. Each entry contains the AEM image of a particle. aem contains the following fields: carbon: the AEM carbon signal I(x,y). name: the name of the scanned region that the particle is in. region: the index of the particle in the scanned region. augercp: coordinates of the control points in the AEM image. The first and second columns are the x and y coordinates, respectively. stxmcp: coordinates of the corresponding control points in the corresponding STXM image. The first and second columns are the x and y coordinates, respectively. 'augercp' and 'stxmcp' are used for image registration between AEM and STXM. auger2stxm: an affine2d object that determines the affine transformation for registration from AEM to STXM images. It is defined based on the control points. tree: the index in the 'stxm' structure array that this particle corresponds to. roi: the ROI of the particle.