Data for: Raman Microspectroscopic Mapping with Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) of the High-Pressure, α-PbO2-Structured Polymorph of Titanium Dioxide, TiO2-II

Published: 28 April 2017| Version 1 | DOI: 10.17632/kd49tr4ddp.1
Contributors:
Joseph Smith,
Alexandra Krull-Davatzes,
Bruce Simonson,
Karl Booksh,
Billy Glass,
Frank Smith

Description

The nineteen total data sets, directly provided in this work, are of Raman microspectroscopic mapping measurements collected on TiO2-II-bearing grains from the four spherule layers—Carawine spherule layer (CSL), Jeerinah spherule layer (JSL), Monteville spherule layer (MSL), and Bee Gorge spherule layer (BGSL). Of the nineteen data sets, fifteen data sets are deemed “high spectral” resolution data and four are deemed “high spatial” resolution data. The “high spectral” resolution data are collected using typically 20 by 20 spectral grids with long integration times and co-averages. The “high spatial” resolution data are collected using 100 by 100 spectral grids with short integration times and no co-averages. Of the “high spectral” resolution data, one data set is of a CSL grain, two data sets are of a JSL grain, five data sets are of MSL grains, and seven data sets are of BGSL grains. Of the “high spatial” resolution data, one data set is of a JSL grain, two data sets are of MSL grains, and one data set is of a BGSL grain. Each available data set is stored as a two-dimensional matrix. The columns of this matrix are the number of spectra collected—typically 400 total Raman spectra for the “high spectral” resolution data and 10,000 total Raman spectra for the “high spatial” resolution data—which correspond to the location of the collected Raman spectrum. The rows of this matrix are the spectral region—70 to 1550 cm-1 in increments of 0.5 cm-1.

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