Dataset title: A study on the robustness of the quantitative phase analysis of X-ray diffraction data by the Rietveld method
DOI: 10.25917/5f44ad65411cc

 Principal Investigator Contact Information
        Name: Dr Matthew R Rowles
           Institution: Curtin University
           Email: matthew.rowles@curtin.edu.au
	   ORCID: 0000-0002-7448-6774

Date of dataset collection: 20191219 - 20200525
Date of dataset publication: August 2020
Keywords: X-ray diffraction; Rietveld analysis; quantitative phase analysis; robustness; ruggardness

Primary dataset contact: Matthew Rowles; matthew.rowles@curtin.edu.au

If necessary, further information or contact details may be found by emailing researchdata@curtin.edu.au

+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
DATA INFORMATION

Data description: 
Data consists of laboratory X-ray diffraction data, Topas input files, and a summary of the results of quantitative phase analysis.

Data collection details (time, method): 
Details are given in http://arxiv.org/abs/2008.11046

Number of files & types: 
All files are text files or zipped text files
diffraction_data - 208 XY files. Two columns; 2theta, intensity
output - 8 TXT files consisting of all results from all refinements. 1 CSV file describing the contenst of each column of the results files. 1 CSV file of full-width half-maximum of the crystalline phases.
output\out - 8 ZIP files consisting of the .OUT file from Topas. This consists of the final output of each individual refinement from Topas, including the correlation matrix.
topas_files - 8 INP files to run Topas Rietveld refinements. 8 Windows Batch files to automate the refinements. 1 INC file for custom Topas macros

Special software required to open files: 
All files are text. An installation of Topas v6 or greater is required to run the INP files to generate the results from the given data.

Dataset is derived from: 
Samples from which the data were collected come from Madsen et al. J. Appl. Cryst. (2001), 34, 409--26.


+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
REUSE INFORMATION

Recommended citation: 
Matthew R Rowles (2020).  A study on the robustness of the quantitative phase analysis of X-ray diffraction data by the Rietveld method. Curtin University. 10.25917/5f44ad65411cc


This dataset is provided under a Creative Commons Attribution 4.0 Licence. More details can be found at https://creativecommons.org/licenses/by/4.0/