COMBIgor: data analysis package for combinatorial materials science

Kevin R. Talley; Sage R. Bauers; Celeste L. Melamed; Meagan C. Papac; Karen Heinselman; Imran Khan; Dennice M. Roberts; Valerie Jacobson; Allison Mis; Geoff L. Brennecka; John D. Perkins; Andriy Zakutayev

arXiv · 1904.07989

COMBIgor: data analysis package for combinatorial materials science

Kevin R. Talley·Sage R. Bauers·Celeste L. Melamed·Meagan C. Papac·Karen Heinselman·Imran Khan·Dennice M. Roberts·Valerie Jacobson·Allison Mis·Geoff L. Brennecka·John D. Perkins·Andriy Zakutayev

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Abstract

Combinatorial experiments involve synthesis of sample libraries with lateral composition gradients requiring spatially-resolved characterization of structure and properties. Due to maturation of combinatorial methods and their successful application in many fields, the modern combinatorial laboratory produces diverse and complex data sets requiring advanced analysis and visualization techniques. In order to utilize these large data sets to uncover new knowledge, the combinatorial scientist must engage in data science. For data science tasks, most laboratories adopt common-purpose data management and visualization software. However, processing and cross-correlating data from various measurement tools is no small task for such generic programs. Here we describe COMBIgor, a purpose-built open-source software package written in the commercial Igor Pro environment, designed to offer a systematic approach to loading, storing, processing, and visualizing combinatorial data sets. It includes (1) methods for loading and storing data sets from combinatorial libraries, (2) routines for streamlined data processing, and (3) data analysis and visualization features to construct figures. Most importantly, COMBIgor is designed to be easily customized by a laboratory, group, or individual in order to integrate additional instruments and data-processing algorithms. Utilizing the capabilities of COMBIgor can significantly reduce the burden of data management on the combinatorial scientist.

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Kevin R. Talley, Sage R. Bauers, Celeste L. Melamed, Meagan C. Papac, Karen Heinselman, Imran Khan, Dennice M. Roberts, Valerie Jacobson, Allison Mis, Geoff L. Brennecka, John D. Perkins, Andriy Zakutayev. 2019-04-16. COMBIgor: data analysis package for combinatorial materials science. https://arxiv.org/abs/1904.07989

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