Literature DB >> 31121098

COMBIgor: Data-Analysis Package for Combinatorial Materials Science.

Kevin R Talley1,2, Sage R Bauers1, Celeste L Melamed1,3, Meagan C Papac1,2, Karen N Heinselman1, Imran Khan1, Dennice M Roberts1,4, Valerie Jacobson1,2, Allison Mis1,2, Geoff L Brennecka2, John D Perkins1, Andriy Zakutayev1.   

Abstract

Combinatorial experiments involve synthesis of sample libraries with lateral composition gradients requiring spatially resolved characterization of structure and properties. Because of the 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 and designed to offer a systematic approach to loading, storing, processing, and visualizing combinatorial data. 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.

Keywords:  Igor Pro; combinatorial libraries; data analysis; high-throughput experiments; property mapping; software; thin films

Year:  2019        PMID: 31121098     DOI: 10.1021/acscombsci.9b00077

Source DB:  PubMed          Journal:  ACS Comb Sci        ISSN: 2156-8944            Impact factor:   3.784


  6 in total

1.  Prediction and realisation of high mobility and degenerate p-type conductivity in CaCuP thin films.

Authors:  Joe Willis; Ivona Bravić; Rekha R Schnepf; Karen N Heinselman; Bartomeu Monserrat; Thomas Unold; Andriy Zakutayev; David O Scanlon; Andrea Crovetto
Journal:  Chem Sci       Date:  2022-04-26       Impact factor: 9.969

2.  Zinc Titanium Nitride Semiconductor toward Durable Photoelectrochemical Applications.

Authors:  Ann L Greenaway; Sijia Ke; Theodore Culman; Kevin R Talley; John S Mangum; Karen N Heinselman; Ryan S Kingsbury; Rebecca W Smaha; Melissa K Gish; Elisa M Miller; Kristin A Persson; John M Gregoire; Sage R Bauers; Jeffrey B Neaton; Adele C Tamboli; Andriy Zakutayev
Journal:  J Am Chem Soc       Date:  2022-07-20       Impact factor: 16.383

3.  High-Throughput Selection and Experimental Realization of Two New Ce-Based Nitride Perovskites: CeMoN3 and CeWN3.

Authors:  Rachel Sherbondy; Rebecca W Smaha; Christopher J Bartel; Megan E Holtz; Kevin R Talley; Ben Levy-Wendt; Craig L Perkins; Serena Eley; Andriy Zakutayev; Geoff L Brennecka
Journal:  Chem Mater       Date:  2022-08-01       Impact factor: 10.508

4.  Crystallize It before It Diffuses: Kinetic Stabilization of Thin-Film Phosphorus-Rich Semiconductor CuP2.

Authors:  Andrea Crovetto; Danny Kojda; Feng Yi; Karen N Heinselman; David A LaVan; Klaus Habicht; Thomas Unold; Andriy Zakutayev
Journal:  J Am Chem Soc       Date:  2022-07-13       Impact factor: 16.383

5.  Database Oriented Big Data Analysis Engine Based on Deep Learning.

Authors:  Xiaoran Shang
Journal:  Comput Intell Neurosci       Date:  2022-08-31

6.  Research data infrastructure for high-throughput experimental materials science.

Authors:  Kevin R Talley; Robert White; Nick Wunder; Matthew Eash; Marcus Schwarting; Dave Evenson; John D Perkins; William Tumas; Kristin Munch; Caleb Phillips; Andriy Zakutayev
Journal:  Patterns (N Y)       Date:  2021-11-11
  6 in total

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