Abstract
Research in materials science increasingly depends on the correlation of information from multiple characterisation techniques, acquired in ever larger datasets. Efficient methods of processing and storing these complex datasets are therefore crucial. Reliably keeping track of data processing is also essential to conform with the goals of open science. Here, we introduce Hystorian, a generic materials science data analysis Python package built at its core to improve the traceability, reproducibility, and archival ability of data processing. Proprietary data formats are converted into open hierarchical data format (HDF5) files, with both datasets and subsequent workflows automatically stored into a single location, thus allowing easy management of multiple data types. At present, Hystorian provides a basic scanning probe microscopy and x-ray diffraction analysis toolkit, and is readily extensible to suit user needs. It is also able to wrap over any existing processing functions, making it easy to append in an extant workflow.
Highlights
Current materials science increasingly relies on ever more dataintensive techniques for fundamental and applied characterisation [1]
We present Hystorian, a cross-platform Python package developed to address these challenges by keeping track of all operations and parameters during multistep data processing workflows
We present how raw data from a Cypher Asylum atomic force microscope can be directly compared with second harmonic generation (SHG) data to overlay the positions of ferroelectric domain walls and allow the precise study of the domain wall’s chirality
Summary
Current materials science increasingly relies on ever more dataintensive techniques for fundamental and applied characterisation [1]. We present Hystorian, a cross-platform Python package developed to address these challenges by keeping track of all operations and parameters during multistep data processing workflows. This package is capable of loading, merging, and operating on data from arbitrary sources by transforming proprietary file types into n-dimensional datasets in a hierarchical data format (HDF5) file. Hystorian inserts itself into existing workflows via a series of wrapper functions that can take any extant function and apply it on data stored in the HDF5 files, while keeping track of the function parameters. Integrate second harmonic generation data with piezoresponse force microscopy images of domains in ferroelectric thin films to show how these techniques may be correlated to highlight the non-Ising, chiral behaviour of ferroelectric domain walls
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