3D hyperspectral dataset of NMC grains for broadband ptychographic tomography

The repository contains three datasets, related to the paper "Broadband Ptychotomography with a Hyperspectral Detector" (Physical Review Letters, 2025). For details on the acquisition please refer to the publication. The datasets are made available to interested researchers. broadband_ptycho_NMC_raw_data.tar.gz: folder containing the raw data (9600 folders: 16 projections x 600 frames per projection). The folder also contains the file 20231203_223438_VDS_share.h5. This is a virtual dataset bringing together all the raw data in a legible format. The virtual dataset should point to relative paths within the folder (0000/data.h5, 0001/data.h5... where the numbers go from 0 to 9599). This VDS file contains the following datasets: /cube/cube, shape: 16 projections * 600 frames per projection * 2500 bins * 264 pixels * 264 pixels. Raw diffraction patterns, spectral bin width of 16 eV. /cube/energies, shape: 16*600*2500 /integrated/counts, shape: 16*600*264*264. Diffraction patterns integrated along 2500 bins. /integrated/energy, shape: 16*600*264*264. /spectrum/counts, shape: 16 projections * 600 frames per projection * 4000 spectrum bins /spectrum/energies, shape: 16*600*4000 20231203_223438_7.53-8.81keV_16ener_16proj_share.h5.gz: compressed folder with raw data in a limited energy range (7.53 keV - 8.81 keV) in 16 energy bins (208 eV wide, 80 eV step size) as described in Stolp et al. This data also contains motor positions retrieved from the hardware during acquisition. /cube/energies, shape: 16 32-bit float /data/frames, shape: 16*16*600*264*264 32-bit float. dim0 is energy, dim1 is rotation angle /data/scan, shape: 16*16*600*5 64-bit float. dim0 is energy, dim1 is rotation angle. dim3 contains the acquisition parameters [energy, angle, x, y, z] spectral_ptycho_reconstructions.tar.gz: compressed folder with all 16 reconstructed projections (h5 files). Each projection has 16 reconstructions at different energies. Ptychographic reconstruction of the raw data was performed with PtyREX, a Diamond Light Source software package. The frame positions were calculated automatically knowing that each projection was acquired with 20 steps in y * 30 steps in x, where steps in y = 1 um and steps in x = 1 um, and x is the fast axis. "x" refers to the horizontal direction and "y" refers to the vertical direction. When using the data, please cite W. Stolp et al, "Broadband Ptychotomography with a Hyperspectral Detector", Phys. Rev. Lett. 134 (10.1103/kbrf-gb9c) and acknowledge this repository.