DOI: 10.57760/sciencedb.10592
title: Data for: Micro X-Ray Diffraction Observations and Calibration of Experimentally Shocked Plagioclase Feldspars: In Comparison with Raman Spectroscopic Observations
title: Data for: Micro X-Ray Diffraction Observations and Calibration of Experimentally Shocked Plagioclase Feldspars: In Comparison with Raman Spectroscopic Observations

description: Micro-X-ray diffraction (XRD) data for the study “Micro X-Ray Diffraction Observations and Calibration of Experimentally Shocked Plagioclase Feldspars: In Comparison with Raman Spectroscopic Observationservations.” The samples, previously studied by Jaret et al. (2018), were shocked to pressures ranging from 0 to 56.5 GPa (andesine) and 0 to 56.3 GPa (bytownite). A total of 14 andesine and 11 bytownite polished thin sections were analyzed using an in situ micro-X-ray diffractometer equipped with a Co Kα source and an 2D area detector.Spreadsheets (S1 and S2):The associated Excel profile contains two sections (andesine, S1 and bytownite, S2) providing detailed data for the analyses presented:FWHMχ Analysis: Detailed analysis of Full Width at Half Maximum (FWHM) values along the χ direction (Debye rings) obtained from 2D XRD images of each analyzed target. For consistency, the ΣFWHMχ (where n ≥ 1 represents the number of fitted peaks) is defined as the sum of FWHMχ values across all resolved peaks in the χ dimension, regardless of whether single-peak or multi-peak fitting is required. Finally, the averaged ΣFWHMχ over each sample was calculated.Mineralogy Analysis Results: Results of mineralogy analysis based on micro-XRD and Raman spectroscopy. This section offers insights into the identified minerals present in the analyzed area. Importantly, the mineralogy results also serve as guiding information: if the analyzed target includes minerals other than andesine/bytownite, these data will be excluded from calculations of FWHMχ (or ∑FWHMχ).Statistics Information: Statistical data regarding the number of measurable Miller indices and their structural characteristics. Each analyzed target is categorized based on its structural properties, including crystalline, partially amorphous, or completely amorphous characteristics.Raw Data (14 andesine folders and 11 bytownite folders):The raw data for each target from each shocked sample is provided in three files:Two .gfrm files: These represent two frames of 2D XRD images that can be processed with Bruker EVA software.One .raw file: This file integrates both .gfrm files into a conventional 1D XRD pattern plotting intensity versus 2θ angle. It can also be processed with Bruker EVA software and is primarily used for mineral identification.Peak Width Measurement and Analysis:The .gfrm files are used for peak width measurements along the Debye ring dimension (χ direction). As explained in methods sections 2.2 and 2.3 in the manuscript, the intensity of diffracted X-rays as a function of the χ angle (i.e., along the Debye ring) is used for strain analysis.Here's the breakdown of the analysis process:2D XRD images are integrated along the χ dimension using Bruker EVA software to obtain the intensity distribution corresponding to individual lattice reflections (Fig. 2b).The Full Width at Half Maximum (FWHMχ) of the resulting peak along the χ dimension is determined using Renishaw's Raman WiRE™ software (www.renishaw.com/wire). Multi-curve fitting is necessary for integrated X-ray distributions revealing multiple peaks.Finally, the cumulative FWHMχ values (ΣFWHMχ) are calculated to quantitatively characterize the shock levels induced by the applied loading pressures.
description: Micro-X-ray diffraction (XRD) data for the study “Micro X-Ray Diffraction Observations and Calibration of Experimentally Shocked Plagioclase Feldspars: In Comparison with Raman Spectroscopic Observationservations.” The samples, previously studied by Jaret et al. (2018), were shocked to pressures ranging from 0 to 56.5 GPa (andesine) and 0 to 56.3 GPa (bytownite). A total of 14 andesine and 11 bytownite polished thin sections were analyzed using an in situ micro-X-ray diffractometer equipped with a Co Kα source and an 2D area detector.Spreadsheets (S1 and S2):The associated Excel profile contains two sections (andesine, S1 and bytownite, S2) providing detailed data for the analyses presented:FWHMχ Analysis: Detailed analysis of Full Width at Half Maximum (FWHM) values along the χ direction (Debye rings) obtained from 2D XRD images of each analyzed target. For consistency, the ΣFWHMχ (where n ≥ 1 represents the number of fitted peaks) is defined as the sum of FWHMχ values across all resolved peaks in the χ dimension, regardless of whether single-peak or multi-peak fitting is required. Finally, the averaged ΣFWHMχ over each sample was calculated.Mineralogy Analysis Results: Results of mineralogy analysis based on micro-XRD and Raman spectroscopy. This section offers insights into the identified minerals present in the analyzed area. Importantly, the mineralogy results also serve as guiding information: if the analyzed target includes minerals other than andesine/bytownite, these data will be excluded from calculations of FWHMχ (or ∑FWHMχ).Statistics Information: Statistical data regarding the number of measurable Miller indices and their structural characteristics. Each analyzed target is categorized based on its structural properties, including crystalline, partially amorphous, or completely amorphous characteristics.Raw Data (14 andesine folders and 11 bytownite folders):The raw data for each target from each shocked sample is provided in three files:Two .gfrm files: These represent two frames of 2D XRD images that can be processed with Bruker EVA software.One .raw file: This file integrates both .gfrm files into a conventional 1D XRD pattern plotting intensity versus 2θ angle. It can also be processed with Bruker EVA software and is primarily used for mineral identification.Peak Width Measurement and Analysis:The .gfrm files are used for peak width measurements along the Debye ring dimension (χ direction). As explained in methods sections 2.2 and 2.3 in the manuscript, the intensity of diffracted X-rays as a function of the χ angle (i.e., along the Debye ring) is used for strain analysis.Here's the breakdown of the analysis process:2D XRD images are integrated along the χ dimension using Bruker EVA software to obtain the intensity distribution corresponding to individual lattice reflections (Fig. 2b).The Full Width at Half Maximum (FWHMχ) of the resulting peak along the χ dimension is determined using Renishaw's Raman WiRE™ software (www.renishaw.com/wire). Multi-curve fitting is necessary for integrated X-ray distributions revealing multiple peaks.Finally, the cumulative FWHMχ values (ΣFWHMχ) are calculated to quantitatively characterize the shock levels induced by the applied loading pressures.