The surfaces of the samples after laser treatment were examined by XRD using PANalytical-Empyrean system (Malvern Panalytical, Malvern, UK) equipped with a Cu tube and a PIXcel3D detector. The experimental condition was: 40 kV, 40 mA, exposition 100 s, step 0.03 degree. Software High Score Plus (Malvern Panalytical, Malvern, UK) was used to analyze the obtained X-ray diffraction data.
Highscore plus
Manufactured by Malvern Panalytical
Sourced in United Kingdom
HighScore Plus is a versatile and powerful software platform developed by Malvern Panalytical for the analysis and interpretation of powder diffraction data. It provides a comprehensive suite of tools for the identification, characterization, and quantification of crystalline and amorphous materials.
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Lab products found in correlation
X pert pro, by Malvern Panalytical (3 mentions)
K alpha xps system, by Thermo Fisher Scientific (3 mentions)
X pert pro multipurpose diffractometer, by Malvern Panalytical (2 mentions)
Panalytical empyrean system, by Malvern Panalytical (1 mentions)
Sta6000 tga, by PerkinElmer (1 mentions)
Empyrean xrd, by Malvern Panalytical (1 mentions)
Inspect s50, by Thermo Fisher Scientific (1 mentions)
D8 advance, by Bruker (1 mentions)
S 4800, by Hitachi (1 mentions)
X pert, by Malvern Panalytical (1 mentions)
X pert pro diffractometer, by Malvern Panalytical (1 mentions)
X8 apex 2, by Bruker (1 mentions)
Miniflex 600, by Rigaku (1 mentions)
Quantax software, by Bruker (1 mentions)
Eds system, by Bruker (1 mentions)
Dmi5000m, by Leica camera (1 mentions)
Supra 40, by Zeiss (1 mentions)
X pert pro mpd, by Malvern Panalytical (1 mentions)
Gemini 6 surface area and pore density analyzer, by Micromeritics (1 mentions)
Merlin, by Zeiss (1 mentions)
21 protocols using highscore plus
1
X-ray Diffraction Analysis of Laser-Treated Surfaces
2
Powder X-Ray Diffraction Analysis Protocol
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PXRD patterns were recorded on a PANalytical Empyrean diffractometer (Panalytical, Almelo, The Netherlands), equipped with a PIXcel detector (Medipix2, CERN, Geneva, Switzerland). Samples were scanned with a Cu Kα source (λ = 1.5418 Å), operated at 45 kV and 40 mA, step size 0.0016°, step time 20 s, and 2θ angular range between 4° and 50°. A soller of 0.04 rad located at the X-ray tube and a large soller of 0.04 rad located at the detector were used. A divergence slit of 1/4° and an antiscatter slit of 1/2° were implemented. Kβ was filtered using nickel. Powder material was measured in a zero-background sample holder whereas tablets were sanded to obtain a flat surface and placed in an irregular shape sample holder for the front-loading of solid samples. All the PXRD data were obtained at 25 °C, environmental conditions. The software Data Collector, High Score plus and PDF4+ (2021, Malvern PANalytical, Malvern, UK) were utilized.
3
Thermal Stability and Crystallinity of Lyocell Fibers
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The thermal stability of the lyocell fibres and neat PLA used in this study were analysed through thermogravimetric analysis (TG) in a Perkin Elmer STA6000 TGA from 30 to 600 °C at a heating rate of 10 °C/min under argon flow of 40 mL/min. The fibres were also analysed in a Panalytical Empyrean XRD (Worcestershire, UK) using CuKα radiation (40 kV; 40 mA) equipped with a PixCel linear detector. The fibres were scanned in a 2θ range of 5°–45° using a scanning step of 0.01° and an equivalent exposure time of 40 s. The obtained X-ray diffraction pattern was analysed in the software HighScore® Plus, Malvern Panalytical) (Worcestershire, UK) and submitted to a Rietveld refinement using the crystal structure of cellulose II [42 (link)]. The degree of crystallinity of cellulose was determined by including the amorphous phase during the refinement, as proposed by Nam et al. (2016) [43 (link)]. Crystallite sizes of planes (110) and (020) were calculated using the Scherrer equation [44 ].
4
Mineral Characterization by XRD and SEM
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The mineralogy of the soils and mineral was determined by X-ray diffraction (XRD, Panalytical Empyrean) operated with Cu Kα radiation at 45 kV and 40 mA. The diffraction patterns were collected over a 2θ range of 5–70° (Gineika et al., 2019 (link)) and the crystalline phases were identified using the software HighScore Plus (Malvern Panalytical). The morphology, structure, and chemical composition of samples were analyzed using a scanning electron microscope (SEM, FEI Inspect S50) equipped with an energy-dispersive X-ray spectrometer (EDS, Oxford X-Max20 SSD).
5
Sampling and Analysis of Oman Ophiolite
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Samples were collected in 2012 from vein carbonates, travertines, and host rocks in the Samail Ophiolite in the Oman mountains, located in the Sultanate of Oman (Fig. 1, Table 2, and Supplementary Fig. S1). These were broken from outcrops with a hammer, untouched, and double wrapped in aluminum foil at each site of sampling to minimize contamination. In the laboratory, samples were first cleaned with deionized water and ground into a fine powder with a puck and mill. The mineral composition of each sample was evaluated by powdered X-ray diffraction (XRD) analysis on a PANalytical X'Pert Pro XRPD (PANalytical, Almelo, the Netherlands) at the Center for Materials Science and Engineering at MIT (Cambridge, MA). XRD spectra were collected from 5°to 90°and analyzed with the computer software program HighScore Plus (Malvern Panalytical, Malvern, United Kingdom). Samples were categorized into subsets A and B, according to mineral composition and biomarker distribution (see Section 3).
6
Crystalline Phase Analysis of Zirconia
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To analyze the crystalline phases of both types of zirconia before and after sandblasting, X-ray diffraction (XRD) analysis (Empyrean, Malvern Panalytical, Almelo, Netherlands) was performed on each of the as-sintered and Al 2O3-sandblasted specimens using Cu-Kα radiation at a tube voltage of 40 kV and tube current of 30 mA. The diffractograms were acquired with a step size (Δ2θ) of 0.0263° over a 2θ range of 20°-90°. Rietveld analysis was performed using analytical software (HighScore Plus, Malvern Panalytical) to evaluate the phase compositions of the zirconia.
7
Crystalline Structure Analysis of Ivermectin
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The crystalline structure of ivermectin pure powder, HP-β-CD, physical mixture, and lyophilized ivermectin formulation, in addition to its corresponding non-medicated formulation were examined in a Scintag X-ray diffractometer (USA) using Cu-radiation with a nickel filter at a voltage of 45 kV, a current of 40 mA and scanning speed of 0.02°/sec. The reflection peaks between 2θ = 2° and 80°, the corresponding spacing (d, A°) were determined using HighScore Plus, Malvern Panalytical Ltd, UK and the relative intensities (I/I°) were determined by calculating the ratio between the height of a selected peak in the X-ray diffractogram in the lyophilized formulation (I) and its height in ivermectin diffractogram (I°) [50]
8
X-Ray Diffraction Analysis Protocol
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XRD data were measured at room temperature using a diffractometer (PANalytical: XPERT PRO-) X-ray ceramic tube with copper anticathode using a generator power RX of 20 mA and 40 kV. The diffractometer is equipped with software for data acquisition (Data Collector of PANalytical) and a software for data processing (PANalytical HighScore Plus), providing a Cu Kα radiation (λ = 1.54 Å). Powder samples were exposed to X-ray beam at 2°/min.
9
Synthesis and Characterization of La0.7Sr0.3MnO3 Nanopowder
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La0.7Sr0.3MnO3 nanopowders were prepared using reactive milling combined with thermal processing methods as reported in the authors' previous work.11 (link) After 10 h of milling in ambient atmosphere, the resulting powder was calcined at 700 °C and 800 °C for 4 h in air. The samples obtained were denoted as S1 for sample calcined at 700 °C and S2 for sample calcined at 800 °C. The phase purity, homogeneity, and crystal structure were characterized by XRD using a Bruker D8 Advance X-ray diffractometer with CuKα radiation (λ = 1.5406 Å) and an accelerating voltage of 40 kV. The data were recorded at room temperature from 20° to 80° for 2θ at a scanning speed of 2° min−1 and a step size of 0.02°. The XRD patterns were studied by the commercial X'pert Highscore Plus of the PANalytical program for Rietveld refinement analysis. The surface morphology of the samples was observed using scanning electron microphotographs under Field emission scanning electron microscopes (Hitachi S-4800).
10
Mineralogical Analysis of Fault Rocks
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We performed powder X-ray diffraction (XRPD) analyses and energy dispersive spectroscopy (EDS) to determine the mineralogy of natural fault rocks and experiment materials. In particular, we performed XRPD analyses on the insoluble residue from the ultracataclasite and from the natural phyllosilicate-bearing layers. We isolated the insoluble residues using HCl acid to dissolve calcite. XRPD data were obtained using a PANalytical θ-θ diffractometer equipped with a long fine-focus Cu X-ray tube (operating at 40 kV and 40 mA) and a real-time multiple strip (RTMS) detector (X’Celerator). The scan was performed over the 2θ range of 3–80°, with a virtual 2θ step size of 0.017°, and a counting time of 100 s/step. The program High Score Plus (PANalytical) was used for phase identification and quantitative phase analysis with Rietveld refinement58 (link).
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