Song, Qiuyun; Zhang, Shitao; Pu, Wenzhou; Chen, Liurunxuan; Ruohan Zuo, Ruohan; Chen, Xianchao; Zhang, Dai; Liu, Wenlian (2025): The raw µ-XRD data of Formation Mechanism and Gemological Characteristics of "Yellow-Skinned" Nanhong Agate in Northeastern Yunnan, China: Evidence from Mineralogy and Geochemistry [dataset]. PANGAEA, https://doi.org/10.1594/PANGAEA.982631
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Published: 2025-12-30 • DOI registered: 2026-01-27
Abstract:
This dataset contains raw micro-X-ray diffraction (μ-XRD) patterns of 8 yellow-skinned Nanhong Agate samples collected from Northeastern Yunnan, China. Data acquisition was performed using a Malvern PANalytical EMPYREAN diffractometer(Malvern-Panalytical, UK) with Cu-Kα radiation (λ = 1.54056 Å), operating at 40 kV and 40 mA. The measurements were performed on a defined microarea using a 0.5-mm X-ray beam collimator. The sample was scanned over a 2θ range of 5° to 90° with a step size of 0.02°. The data acquisition time for each step was 140.25 s, and the scan speed was 0.048°/s. The total time spent at each test site was 30 min and 53 s, ensuring adequate counting statistics. The obtained diffraction patterns were analyzed using Rietveld refinement. The analyses were performed at the Kunming University of Science and Technology Analysis and Testing Research Center on June 25, 2024.
References:
Hendriks, W A (2016): Rietveld refinement of X-ray diffraction data. Crystallography Reviews, 22(1), 101-142
Klug, H P; Alexander, L E (1974): X-ray Diffraction Procedures for Polycrystalline and Amorphous Materials. John Wiley & Sons
Rietveld, H M (1969): A profile refinement method for nuclear and magnetic structures. Journal of Applied Crystallography, 2(2), 65-71, https://doi.org/10.1107/S0021889869006558
Funding:
China Geological Survey, grant/award no. 4530000HT2024006680401: Yunnan Provincial Geological Survey Fund: Metallogenic Regularity and Deep Peripheral Prospecting Prediction of Tin-Silver-Lead-Zinc-Tungsten Polymetallic Deposits in the Western Depression Zone of Bozhushan Granite, Southeastern Yunnan
National Natural Science Foundation of China (NSFC), grant/award no. 42320104005: Evolutionary History and Key Drivers of Cenozoic Plant Diversity in Yunnan
Coverage:
Latitude: 25.064322 * Longitude: 102.692319
Date/Time Start: 2024-06-25T08:41:00 * Date/Time End: 2024-06-25T17:08:00
Event(s):
Comment:
Laboratory Instruments：The X-ray diffraction measurements were performed using an EMPYREAN multifunctional X-ray diffractometer (Malvern-Panalytical, UK) equipped with a PIXCEL 3D detector and copper target. The instrument configuration included advanced optical path control modules: a BBHD filter, parallel beam mirror, and double cross slit system. This setup enabled flexible switching between focused and parallel beam modes, with precise control of micro-focused beam spot size (adjustable down to 0.1 mm minimum dimension through slit optimization). The parallel beam configuration achieved an ultra-low grazing incidence angle of 0.1°, while the double cross slit assembly maintained a minimum effective aperture of ≥0.1 mm during measurements.
2θ (degrees): Diffraction angle range (5° to 90°).
Intensity (counts): Measured intensity of the diffracted X-rays.
Step size (degrees): 0.02°.
Acquisition time per step (seconds): 140.25 s.
Scan speed (degrees/second): 0.048°/s.
Total measurement time per site (minutes:seconds): 30:53.
Additional Notes:
The dataset includes raw μ-XRD patterns for eight samples.
The data files contain columns for 2θ (degrees) and corresponding intensity (counts).
Non-common abbreviations (e.g., μ-XRD, Cu-Kα) are explained in the metadata.
Parameter(s):
| # | Name | Short Name | Unit | Principal Investigator | Method/Device | Comment |
|---|---|---|---|---|---|---|
| 1 | Sample ID | Sample ID | Song, Qiuyun | |||
| 2 | DATE/TIME | Date/Time | Song, Qiuyun | Geocode | ||
| 3 | ASCII file | ASCII | Song, Qiuyun | Malvern PANalytical EMPYREAN μ-XRD; Rietveld Refinement |
License:
Creative Commons Attribution 4.0 International (CC-BY-4.0)
Status:
Curation Level: Enhanced curation (CurationLevelC)
Size:
16 data points
Data
All files referred to in data matrix can be downloaded in one go as ZIP or TAR. Be careful: This download can be very large! To protect our systems from misuse, we require to sign up for an user account before downloading.
| 1 Sample ID | 2 Date/Time | 3 ASCII |
|---|---|---|
| ky5117(BJ1)-1position | 2024-06-25T16:26:00 | ky5117(BJ1)-1position.txt |
| ky5118(BJ1)-2position | 2024-06-25T17:08:00 | ky5118(BJ1)-2position.txt |
| ky5119(BJ2)-1position | 2024-06-25T08:41:00 | ky5119(BJ2)-1position.txt |
| ky5120(BJ2)-2position | 2024-06-25T09:16:01 | ky5120(BJ2)-2position.txt |
| ky5121(BJ3)-1position | 2024-06-25T09:53:00 | ky5121(BJ3)-1position.txt |
| ky5122(BJ3)-2position | 2024-06-25T10:31:00 | ky5122(BJ3)-2position.txt |
| ky5123(BJ4)-1position | 2024-06-25T11:07:00 | ky5123(BJ4)-1position.txt |
| ky5124(BJ4)-2position | 2024-06-25T12:25:00 | ky5124(BJ4)-2position.txt |