DOI: 10.5281/zenodo.7092770
title: Natrolite - Sample 2 NanED Round Robin, Data: ESR4 & ESR5

description: <em><strong>Natrolite</strong></em> The following submission contains the data collection and processing of datasets for the sample natrolite under the NanEd round-robin project. A single crystal was identified, and continuous rotation and precession data acquisition techniques were used to collect datasets on the same crystal. All the data sets were processed with PETS2 software. The table below summarizes the data collection parameters for the data sets. The following data is also included as a text file in the data folder. <strong>Continuous rotation</strong> <strong>General information:</strong> Project NanED (www.naned.eu) ESR Project ESR4 & ESR5 - Round Robin Project Label RR1 Sample Label RR1-S2_PRAHA Data set Label RR1-S2_PRAHA-CROT <strong>Instrumental:</strong> Instrument Transmission electron microscope FEI Tecnai G2 20 Radiation source LaB6 Accelerating voltage 200 kV Wavelength 0.0251 Å Probe Type Microdiffraction Beam Diameter 900nm Beam Convergence Parallel beam, convergence &lt;0.1mrad Detector Hybrid pixel detector ASI Cheetah (side mounted) Number of pixels in the image 512 x 512 Pixel size 55 µm x 55 µm Effective camera length 1000 mm Calibration constant 0.008259 Å<sup>-1</sup>/pixel <strong>Sample description:</strong> Name Natrolite Chemical composition Na<sub>2</sub>Al<sub>2</sub>Si<sub>3</sub>O<sub>10</sub>.2H<sub>2</sub>O Sample source Natural sample from Marianska Skala, Usti nad Labem, Czechia Sample preparation Powder crushed in an agate mortar and deposited on a Cu grid with holey C film <strong>Experimental:</strong> Data Type Electron diffraction data - 3D ED Data collection method Continuous Rotation Temperature (K) used during data collection 95 K Number of crystals contributing to the data set 1 Number of experimental frames 240 tilt range, tilt step, tilt per frame -60° to +60°, 0.5°, 0.5° Exposure time per frame 482ms <strong>Software: </strong> Software used for the data collection RATS software Software used for processing PETS2 (ver 2.2.20220701.0941) <strong>Authorship and bibliography</strong> Author(s) of the data Hrushikesh Chintakindi (ESR4) & Ashwin Suresh (ESR5) Related data Publication(s) <strong>Files and data formats</strong> Image folder dpCROT : Folder containing images of the diffraction pattern from each frame. Image format tiff_16bit Additional folders/files Crystal_image.jpg : image of the crystal S2_C5-crot-050_petsdata : Log files of PETS2 processing S2_C5-crot-050.pts2:_input file for the program PETS2 used for processing the data Notes: The software, RATS used for data collection is an in-house software developed in FZU, Praha. *Project Label "RR1" stands for Round Robin 1 *Data set label "RR1-S2_PRAHA-CROT" stands for Round Robin 1 sample 2 from Praha, data collection method Continuous Rotation. *The additional files can be found in the folder: Continuous_rotation\Data_collection_processing <strong>Precession</strong> <strong>General information:</strong> Project NanED (www.naned.eu) ESR Project ESR4 & ESR5 - Round Robin Project Label RR1 Sample Label RR1-S2_PRAHA Data set Label RR1-S2_PRAHA-PREC <strong>Instrumental:</strong> Instrument Transmission electron microscope FEI Tecnai G2 20 Radiation source LaB6 Accelerating voltage 200 kV Wavelength 0.0251 Å Probe Type Microdiffraction Beam Diameter 900nm Beam Convergence Parallel beam, convergence &lt;0.1mrad Detector Hybrid pixel detector ASI Cheetah (side mounted) Number of pixels in the image 512 x 512 Pixel size 55 µm x 55 µm Effective camera length 1000 mm Calibration constant 0.008259 Å<sup>-1</sup>/pixel <strong>Sample description:</strong> Name Natrolite Chemical composition Na<sub>2</sub>Al<sub>2</sub>Si<sub>3</sub>O<sub>10</sub>.2H<sub>2</sub>O Sample source Natural sample from Marianska Skala, Usti nad Labem, Czechia Sample preparation Powder crushed in an agate mortar and deposited on a Cu grid with holey C film <strong>Experimental:</strong> Data Type Electron diffraction data - 3D ED Data collection method Precession Temperature (K) used during data collection 95 K Number of crystals contributing to the data set 1 Number of experimental frames 121 tilt range, tilt step, tilt per frame -60° to +60°, 1°, 0° Precession angle 1° Exposure time per frame 500ms <strong>Software:</strong> Software used for the data collection RATS software Software used for processing PETS2 (ver 2.2.20220701.0941) <strong>Authorship and bibliography</strong> Author(s) of the data Hrushikesh Chintakindi (ESR4) & Ashwin Suresh (ESR5) Related data Publication(s) <strong>Files and data formats</strong> Image folder dp100 : Folder containing images of the diffraction pattern from each frames. Image format tiff_16bit Additional folders/files Crystal_image : image of the crystal S2_C5_prec-100_petsdata : Log files of PETS2 processing S2_C5_prec-100.pts2 :_input file for the program PETS2 used for processing the data <strong>Notes:</strong> The software, RATS used for data collection is an in-house software developed in FZU, Praha. *Project Label "RR1" stands for Round Robin 1 *Data set label "RR1-S2_PRAHA-PREC" stands for Round Robin 1 sample 2 from Praha, data collection method Precession. *The additional files can be found in the folder: Precession\Data_collection_processing