On Open and Strong-Scaling Tools for Atom Probe Crystallography: High-Throughput Methods for Indexing Crystal Structure and Orientation

This repository contains XML configuration files, POS and EPOS reconstructed APT datasets and RNG/RRNG range files, raw data, and synthetic dataset to follow our analysis made in the initial version of the paper "On Open and Strong-Scaling Tools for Atom Probe Crystallography: High-Throughput Methods for Indexing Crystal Structure and Orientation"

We are continuously working on the atom probe crystallography tools of paraprobe and their corresponding configuration and analysis wizards in paraprobe-parmsetup and paraprobe-autoreporter. Also, we are currently working on an ontology for metadata of APT post-processing workflows. Therefore, changes in the structure of the HDF5 file are expected to come up.

Therefore, we always recommend to work with the newest code of PARAPROBE on the GitLab:

https://gitlab.mpcdf.mpg.de/mpie-aptfim-toolbox/paraprobe.git
https://paraprobe-toolbox.readthedocs.io/en/latest/

Therefore, the data in here serve as a reference to and documentation of the  settings mainly.

This repository here contains the following pieces of  information:

VerifyCrystalStructures_Geo26Al.zip
VerifyCrystalStructures_Geo26Al3Sc.zip
VerifyCrystalStructures_Geo26W.zip
Raw data and results for the assessment of the histograms and SDMs and corresponding amplitude  spectra.

VerifySXIndexing.zip
Raw data and results for the verification with synthetic single crystal datasets.

VerifyPXIndexing2_SimID.200.tar.gz
VerifyPXIndexing2_SimID.201.tar.gz
VerifyPXIndexing2_SimID.202.tar.gz
Raw data and results for the verification with synthetic polycrystal datasets,
where 200 is without noise, 201 low noise, 202 high noise.

VerifyAlBicrystalZirong_ExampleROIs.tar.gz
VerifyAlBicrystalZirong_Library.tar.gz
VerifyAlBicrystalZirong_Setup.tar.gz
VerifyAlBicrystalZirongRendering.zip
Raw data and results for specific ROIs discussed for the aluminium bicrystal including Paraview example for rendering.

VerifyAlLiMgBaptiste_ExampleROIs.tar.gz
VerifyAlLiMgBaptiste_Library.tar.gz
VerifyAlLiMgBaptiste_Setup.tar.gz
VerifyAlLiMgBaptisteRendering.zip
Raw data and results for specific ROIs discussed for the aluminium bicrystal including Paraview example for rendering.

AlBicrystalAdaptiveROIGrid.tar.gz
AlLiMgAgAdaptiveROIGrid.tar.gz
Raw data and results for the tutorial with adaptive refinement of the ROI grid, as it is detailed in the Jupyter notebook tutorials on the GitLab repository.