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19 results for “NanED”
Natrolite - Sample 2 NanED Round Robin, Data: ESR4 & ESR5
<p><em><strong>Natrolite</strong></em></p> <p>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.</p> <p><strong>Continuous rotation</strong></p> <table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p>ESR4 & ESR5 - Round Robin</p> </td> </tr> <tr> <td> <p>Project Label</p> </td> <td> <p>RR1</p> </td> </tr> <tr> <td> <p>Sample Label</p> </td> <td> <p>RR1-S2_PRAHA</p> </td> </tr> <tr> <td> <p>Data set Label</p> </td> <td> <p>RR1-S2_PRAHA-CROT</p> </td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td>Transmission electron microscope FEI Tecnai G2 20</td> </tr> <tr> <td> <p>Radiation source</p> </td> <td>LaB6</td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td>200 kV</td> </tr> <tr> <td> <p>Wavelength</p> </td> <td>0.0251 Å</td> </tr> <tr> <td> <p>Probe Type</p> </td> <td>Microdiffraction</td> </tr> <tr> <td> <p>Beam Diameter</p> </td> <td>900nm</td> </tr> <tr> <td> <p>Beam Convergence</p> </td> <td>Parallel beam, convergence <0.1mrad</td> </tr> <tr> <td> <p>Detector</p> </td> <td>Hybrid pixel detector ASI Cheetah (side mounted)</td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td>512 x 512</td> </tr> <tr> <td> <p>Pixel size</p> </td> <td>55 µm x 55 µm</td> </tr> <tr> <td> <p>Effective camera length</p> </td> <td>1000 mm</td> </tr> <tr> <td> <p>Calibration constant</p> </td> <td>0.008259 Å<sup>-1</sup>/pixel</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Sample description:</strong></td> <td> </td> </tr> <tr> <td> <p>Name</p> </td> <td>Natrolite</td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td>Na<sub>2</sub>Al<sub>2</sub>Si<sub>3</sub>O<sub>10</sub>.2H<sub>2</sub>O</td> </tr> <tr> <td> <p>Sample source</p> </td> <td>Natural sample from Marianska Skala, Usti nad Labem, Czechia</td> </tr> <tr> <td> <p>Sample preparation</p> </td> <td>Powder crushed in an agate mortar and deposited on a Cu grid with holey C film</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p>Continuous Rotation</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td>95 K</td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td>1</td> </tr> <tr> <td> <p>Number of experimental frames</p> </td> <td> <p>240</p> </td> </tr> <tr> <td> <p>tilt range, tilt step, tilt per frame</p> </td> <td> <p>-60° to +60°, 0.5°, 0.5°</p> </td> </tr> <tr> <td> <p>Exposure time per frame</p> </td> <td> <p>482ms</p> </td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td> <p><strong>Software: </strong></p> </td> <td> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p>RATS software</p> </td> </tr> <tr> <td>Software used for processing </td> <td> <p>PETS2 (ver 2.2.20220701.0941)</p> </td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td> <p><strong>Authorship and bibliography</strong></p> </td> <td> </td> </tr> <tr> <td> <p>Author(s) of the data</p> </td> <td> <p>Hrushikesh Chintakindi (ESR4) & Ashwin Suresh (ESR5)</p> </td> </tr> <tr> <td> <p>Related data</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Publication(s)</p> </td> <td> <p> </p> </td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td> <p><strong>Files and data formats</strong></p> </td> <td> </td> </tr> <tr> <td>Image folder</td> <td> <p>dpCROT : Folder containing images of the diffraction pattern from each frame.</p> </td> </tr> <tr> <td> <p>Image format</p> </td> <td> <p>tiff_16bit</p> </td> </tr> <tr> <td> <p>Additional folders/files</p> </td> <td>Crystal_image.jpg : image of the crystal</td> </tr> <tr> <td> <p> </p> </td> <td>S2_C5-crot-050_petsdata : Log files of PETS2 processing</td> </tr> <tr> <td> <p> </p> </td> <td>S2_C5-crot-050.pts2:_input file for the program PETS2 used for processing the data</td> </tr> </tbody> </table> <table> <tbody> <tr> <td> <p>Notes: </p> <p>The software, RATS used for data collection is an in-house software developed in FZU, Praha.</p> <p>*Project Label "RR1" stands for Round Robin 1</p> <p>*Data set label "RR1-S2_PRAHA-CROT" stands for Round Robin 1 sample 2 from Praha, data collection method Continuous Rotation.</p> <p>*The additional files can be found in the folder:</p> <p>Continuous_rotation\Data_collection_processing</p> </td> </tr> </tbody> </table> <p><strong>Precession</strong></p> <table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p>ESR4 & ESR5 - Round Robin</p> </td> </tr> <tr> <td> <p>Project Label</p> </td> <td> <p>RR1</p> </td> </tr> <tr> <td> <p>Sample Label</p> </td> <td> <p>RR1-S2_PRAHA</p> </td> </tr> <tr> <td> <p>Data set Label</p> </td> <td> <p>RR1-S2_PRAHA-PREC</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td> <p>Transmission electron microscope FEI Tecnai G2 20</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p>LaB6</p> </td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td> <p>200 kV</p> </td> </tr> <tr> <td> <p>Wavelength</p> </td> <td> <p>0.0251 Å</p> </td> </tr> <tr> <td> <p>Probe Type</p> </td> <td> <p>Microdiffraction</p> </td> </tr> <tr> <td> <p>Beam Diameter</p> </td> <td> <p>900nm</p> </td> </tr> <tr> <td> <p>Beam Convergence</p> </td> <td> <p>Parallel beam, convergence <0.1mrad</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p>Hybrid pixel detector ASI Cheetah (side mounted)</p> </td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td> <p>512 x 512</p> </td> </tr> <tr> <td> <p>Pixel size</p> </td> <td> <p>55 µm x 55 µm</p> </td> </tr> <tr> <td> <p>Effective camera length</p> </td> <td> <p>1000 mm</p> </td> </tr> <tr> <td> <p>Calibration constant</p> </td> <td> <p>0.008259 Å<sup>-1</sup>/pixel</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Sample description:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Name</p> </td> <td> <p>Natrolite</p> </td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td> <p>Na<sub>2</sub>Al<sub>2</sub>Si<sub>3</sub>O<sub>10</sub>.2H<sub>2</sub>O</p> </td> </tr> <tr> <td> <p>Sample source</p> </td> <td> <p>Natural sample from Marianska Skala, Usti nad Labem, Czechia</p> </td> </tr> <tr> <td> <p>Sample preparation</p> </td> <td> <p>Powder crushed in an agate mortar and deposited on a Cu grid with holey C film</p> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p>Precession</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td> <p>95 K</p> </td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td> <p>1</p> </td> </tr> <tr> <td> <p>Number of experimental frames</p> </td> <td> <p>121</p> </td> </tr> <tr> <td> <p>tilt range, tilt step, tilt per frame</p> </td> <td> <p>-60° to +60°, 1°, 0°</p> </td> </tr> <tr> <td> <p>Precession angle</p> </td> <td> <p>1°</p> </td> </tr> <tr> <td> <p>Exposure time per frame</p> </td> <td> <p>500ms</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Software:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p>RATS software</p> </td> </tr> <tr> <td> <p>Software used for processing</p> </td> <td> <p>PETS2 (ver 2.2.20220701.0941)</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Authorship and bibliography</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Author(s) of the data</p> </td> <td> <p>Hrushikesh Chintakindi (ESR4) & Ashwin Suresh (ESR5)</p> </td> </tr> <tr> <td> <p>Related data</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Publication(s)</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Files and data formats</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Image folder</p> </td> <td> <p>dp100 : Folder containing images of the diffraction pattern from each frames.</p> </td> </tr> <tr> <td> <p>Image format</p> </td> <td> <p>tiff_16bit</p> </td> </tr> <tr> <td> <p>Additional folders/files</p> </td> <td> <p>Crystal_image : image of the crystal</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>S2_C5_prec-100_petsdata : Log files of PETS2 processing</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>S2_C5_prec-100.pts2 :_input file for the program PETS2 used for processing the data</p> </td> </tr> </tbody> </table> <table> <tbody> <tr> <td> <p><strong>Notes:</strong></p> <p>The software, RATS used for data collection is an in-house software developed in FZU, Praha.</p> <p>*Project Label "RR1" stands for Round Robin 1</p> <p>*Data set label "RR1-S2_PRAHA-PREC" stands for Round Robin 1 sample 2 from Praha, data collection method Precession.</p> <p>*The additional files can be found in the folder:</p> <p>Precession\Data_collection_processing</p> </td> </tr> </tbody> </table> <p> </p>
Epidote - Sample 1 NanED Round Robin, Data: ESR4 & ESR5
<p><em><strong>Epidote</strong></em></p> <p>The following submission contains the data collection and processing of datasets for the sample epidote 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.</p> <p><strong>Continuous Rotation:</strong></p> <table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p>ESR4 & ESR5 - Round Robin</p> </td> </tr> <tr> <td> <p>Project Label</p> </td> <td> <p>RR1</p> </td> </tr> <tr> <td> <p>Sample Label</p> </td> <td> <p>RR1-S1_PISA</p> </td> </tr> <tr> <td> <p>Data set Label</p> </td> <td> <p>RR1-S1_PISA-CROT</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td> <p>Transmission electron microscope FEI Tecnai G2 20</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p>LaB6</p> </td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td> <p>200 kV</p> </td> </tr> <tr> <td> <p>Wavelength</p> </td> <td> <p>0.0251 Å</p> </td> </tr> <tr> <td> <p>Probe Type</p> </td> <td> <p>Microdiffraction</p> </td> </tr> <tr> <td> <p>Beam Diameter</p> </td> <td> <p>900nm</p> </td> </tr> <tr> <td> <p>Beam Convergence</p> </td> <td> <p>Parallel beam, convergence <0.1mrad</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p>Hybrid pixel detector ASI Cheetah (side mounted)</p> </td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td> <p>512 x 512</p> </td> </tr> <tr> <td> <p>Pixel size</p> </td> <td> <p>55 µm x 55 µm</p> </td> </tr> <tr> <td> <p>Effective camera length</p> </td> <td> <p>1200 mm</p> </td> </tr> <tr> <td> <p>Calibration constant</p> </td> <td> <p>0.006895 Å<sup>-1</sup>/pixel</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Sample description:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Name</p> </td> <td> <p>Epidote</p> </td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td> <p>Ca<sub>2</sub>Fe<sub>x</sub>Al<sub>3-x</sub>Si<sub>3</sub>O<sub>13</sub>H</p> </td> </tr> <tr> <td> <p>Sample source</p> </td> <td> <p>Natural source from Val d'Ossola, Italy</p> </td> </tr> <tr> <td> <p>Sample preparation</p> </td> <td> <p>Powder crushed in an agate mortar and deposited on a Cu grid with holey C film</p> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p>Continuous Rotation</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td> <p>293 K</p> </td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td> <p>1</p> </td> </tr> <tr> <td> <p>Number of experimental frames</p> </td> <td> <p>240</p> </td> </tr> <tr> <td> <p>tilt range, tilt step, tilt per frame</p> </td> <td> <p>-60° to +60°, 0.5°, 0.5°</p> </td> </tr> <tr> <td> <p>Exposure time per frame</p> </td> <td> <p>709ms</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Software:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p>RATS software</p> </td> </tr> <tr> <td> <p>Software used for processing</p> </td> <td> <p>PETS2 (ver 2.2.20220701.0941)</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Authorship and bibliography</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Author(s) of the data</p> </td> <td> <p>Hrushikesh Chintakindi (ESR4) & Ashwin Suresh (ESR5)</p> </td> </tr> <tr> <td> <p>Related data</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Publication(s)</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Files and data formats</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Image folder</p> </td> <td> <p>dpCROT : Folder containing images of the diffraction pattern from each frames.</p> </td> </tr> <tr> <td> <p>Image format</p> </td> <td> <p>tiff_16bit</p> </td> </tr> <tr> <td> <p>Additional folders/files</p> </td> <td> <p>Crystal_image : image of the crystal</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>S1_04c-crot-050_petsdata : Log files of PETS2 processing</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>S1_04c-crot-050.pts2 :_input file for the program PETS2 used for processing the data</p> </td> </tr> </tbody> </table> <table> <tbody> <tr> <td> <p><strong>Notes:</strong></p> <p>The software, RATS used for data collection is an in-house software developed in FZU, Praha.</p> <p>*Project Label "RR1" stands for Round Robin 1</p> <p>*Data set label "RR1-S1_PISA-CROT" stands for Round Robin 1 sample 1 from Pisa, data collection method Continuous Rotation.</p> <p>*The additional files can be found in the folder:</p> <p>Continuous_rotation\Data_collection_processing</p> </td> </tr> </tbody> </table> <p> </p> <p><strong>Precession:</strong></p> <table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p>ESR4 & ESR5 - Round Robin</p> </td> </tr> <tr> <td> <p>Project Label</p> </td> <td> <p>RR1</p> </td> </tr> <tr> <td> <p>Sample Label</p> </td> <td> <p>RR1-S1_PISA</p> </td> </tr> <tr> <td> <p>Data set Label</p> </td> <td> <p>RR1-S1_PISA-PREC</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td> <p>Transmission electron microscope FEI Tecnai G2 20</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p>LaB6</p> </td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td> <p>200 kV</p> </td> </tr> <tr> <td> <p>Wavelength</p> </td> <td> <p>0.0251 Å</p> </td> </tr> <tr> <td> <p>Probe Type</p> </td> <td> <p>Microdiffraction</p> </td> </tr> <tr> <td> <p>Beam Diameter</p> </td> <td> <p>900nm</p> </td> </tr> <tr> <td> <p>Beam Convergence</p> </td> <td> <p>Parallel beam, convergence <0.1mrad</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p>Hybrid pixel detector ASI Cheetah (side mounted)</p> </td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td> <p>512 x 512</p> </td> </tr> <tr> <td> <p>Pixel size</p> </td> <td> <p>55 µm x 55 µm</p> </td> </tr> <tr> <td> <p>Effective camera length</p> </td> <td> <p>1200 mm</p> </td> </tr> <tr> <td> <p>Calibration constant</p> </td> <td> <p>0.006895 Å<sup>-1</sup>/pixel</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Sample description:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Name</p> </td> <td> <p>Epidote</p> </td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td> <p>Ca<sub>2</sub>Fe<sub>x</sub>Al<sub>3-x</sub>Si<sub>3</sub>O<sub>13</sub>H</p> </td> </tr> <tr> <td> <p>Sample source</p> </td> <td> <p>Natural source from Val d'Ossola, Italy</p> </td> </tr> <tr> <td> <p>Sample preparation</p> </td> <td> <p>Powder crushed in an agate mortar and deposited on a Cu grid with holey C film</p> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p>Precession</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td> <p>293 K</p> </td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td> <p>1</p> </td> </tr> <tr> <td> <p>Number of experimental frames</p> </td> <td> <p>121</p> </td> </tr> <tr> <td> <p>tilt range, tilt step, tilt per frame</p> </td> <td> <p>-60° to +60°, 1°, 0°</p> </td> </tr> <tr> <td> <p>Precession angle</p> </td> <td> <p>1°</p> </td> </tr> <tr> <td> <p>Exposure time per frame</p> </td> <td> <p>700ms</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Software:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p>RATS software</p> </td> </tr> <tr> <td> <p>Software used for processing</p> </td> <td> <p>PETS2 (ver 2.2.20220701.0941)</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Authorship and bibliography</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Author(s) of the data</p> </td> <td> <p>Hrushikesh Chintakindi (ESR4) & Ashwin Suresh (ESR5)</p> </td> </tr> <tr> <td> <p>Related data</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Publication(s)</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Files and data formats</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Image folder</p> </td> <td> <p>dp100 : Folder containing images of the diffraction pattern from each frames.</p> </td> </tr> <tr> <td> <p>Image format</p> </td> <td> <p>tiff_16bit</p> </td> </tr> <tr> <td> <p>Additional folders/files</p> </td> <td> <p>Crystal_image : image of the crystal</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>S1_04p-100_petsdata : Log files of PETS2 processing</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>S1_04p-100.pts2 : input file for the program PETS2 used for processing the data</p> </td> </tr> </tbody> </table> <table> <tbody> <tr> <td> <p><strong>Notes:</strong></p> <p>The software, RATS used for data collection is an in-house software developed in FZU, Praha.</p> <p>*Project Label "RR1" stands for Round Robin 1</p> <p>*Data set label "RR1-S1_PISA-PREC" stands for Round Robin 1 sample 1 from Pisa, data collection method Precession.</p> <p>*The additional files can be found in the folder:</p> <p>Precession\Data_collection_processing</p> </td> </tr> </tbody> </table>
Ibuprofen - Sample 3 NanED Round Robin, Data: ESR4 & ESR5
<p><em><strong>Ibuprofen</strong></em></p> <p>The following submission contains the data collection and processing of datasets for the sample ibuprofen under the NanEd round-robin project. Many crystals were identified, and data were collected using the continuous rotation data acquisition technique, out of which two crystals (Crystal 1 & Crystal 2), which were found to complement each other and improve the completeness of the reflection data, were selected. 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 word file in the data folder.</p> <table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p>ESR4 & ESR5 - Round Robin</p> </td> </tr> <tr> <td> <p>Project Label</p> </td> <td> <p>RR1</p> </td> </tr> <tr> <td> <p>Sample Label</p> </td> <td> <p>RR1-S3_PRAHA</p> </td> </tr> <tr> <td> <p>Data set Label</p> </td> <td> <p>RR1-S3_PRAHA-CROT</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td> <p>Transmission electron microscope FEI Tecnai G2 20</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p>LaB<sub>6</sub></p> </td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td> <p>200 kV</p> </td> </tr> <tr> <td> <p>Wavelength</p> </td> <td> <p>0.0251 Å</p> </td> </tr> <tr> <td> <p>Probe Type</p> </td> <td> <p>Microdiffraction</p> </td> </tr> <tr> <td> <p>Beam Convergence</p> </td> <td> <p>Parallel beam, convergence <0.1mrad</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p>Hybrid pixel detector ASI Cheetah (side-mounted)</p> </td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td> <p>512 x 512</p> </td> </tr> <tr> <td> <p>Pixel size</p> </td> <td> <p>55 µm x 55 µm</p> </td> </tr> <tr> <td> <p>Effective camera length</p> </td> <td> <p>1200 mm</p> </td> </tr> <tr> <td> <p>Beam Diameter (crystal 1)</p> </td> <td> <p>650 nm</p> </td> </tr> <tr> <td> <p>Beam Diameter (crystal 2)</p> </td> <td> <p>800 nm</p> </td> </tr> <tr> <td> <p>Calibration constant</p> </td> <td> <p>0.006895 Å<sup>-1</sup>/pixel</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Sample description:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Name</p> </td> <td> <p>Ibuprofen</p> </td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td> <p>C<sub>13</sub>H<sub>18</sub>O<sub>2</sub></p> </td> </tr> <tr> <td> <p>Sample source</p> </td> <td> <p>Thermo Scientific (catalog. No: 333200050, lot: A0424385)</p> </td> </tr> <tr> <td> <p>Sample preparation</p> </td> <td> <p>Powder crushed on an agate mortar and deposited on an ionized Cu grid with holey C film</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p>Continuous Rotation</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td> <p>95.15 K</p> </td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td> <p>2</p> </td> </tr> <tr> <td> <p>Number of experimental frames: Crystal 1</p> </td> <td> <p>340</p> </td> </tr> <tr> <td> <p>tilt range, tilt step, tilt per frame</p> </td> <td> <p>-55° to +30°, 0.25°, 0.25°</p> </td> </tr> <tr> <td> <p>Exposure time per frame: Crystal 1</p> </td> <td> <p>283 ms</p> </td> </tr> <tr> <td> <p>Number of experimental frames: Crystal 2</p> </td> <td> <p>360</p> </td> </tr> <tr> <td> <p>tilt range, tilt step, tilt per frame</p> </td> <td> <p>-50° to +40°, 0.25°, 0.25°</p> </td> </tr> <tr> <td> <p>Exposure time per frame: Crystal 2</p> </td> <td> <p>283 ms</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Software:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p>RATS software</p> </td> </tr> <tr> <td> <p>Software used for processing</p> </td> <td> <p>PETS2 (ver 2.2.20220701.0941)</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Authorship and bibliography</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Author(s) of the data</p> </td> <td> <p>Hrushikesh Chintakindi (ESR4) & Ashwin Suresh (ESR5)</p> </td> </tr> <tr> <td> <p>Related data</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Publication(s)</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Files and data formats</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Image folder</p> </td> <td> <p>dp-crot : Folder containing images of the diffraction pattern from each frame.</p> </td> </tr> <tr> <td> <p>Image format</p> </td> <td> <p>tiff_16bit</p> </td> </tr> <tr> <td> <p>Additional folders/files</p> </td> <td> <p>crystal_image : image of the crystal</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>S3_21-crot-025_petsdata: Log files of PETS2 processing for crystal 1</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>S3_21-crot-025.pts2:_input file for the program PETS2 used for processing the data for crystal 1</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>S3_C7_4-crot-025_petsdata: Log files of PETS2 processing for crystal 2</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>S3_C7_4-crot-025.pts2:_input file for the program PETS2 used for processing the data for crystal 2</p> </td> </tr> </tbody> </table> <p><strong>Notes:</strong></p> <p>The software, RATS used for data collection is an in-house software developed in FZU, Praha.</p> <p>*Project Label "RR1" stands for Round Robin 1</p> <p>*Data set label "RR1-S3_PRAHA-CROT" stands for Round Robin 1 sample 3 from Prague, data collection method Continuous Rotation.</p> <p>*The additional files can be found in the folder:</p> <p>data_collection&processing</p>
S-Ibuprofen - Sample 3 NanED Round Robin, Data: ESR8 & ESR9
<p><em><strong>S-Ibuprofen</strong></em></p> <p>The following submission contains the data collection and processing for the sample s-ibuprofen under the NanEd round-robin project. Precession Electron Diffraction (PED) was used to collect the dataset on the target crystal. The dataset was processed with PETS2 and eADT software. The table below summarizes the data collection parameters for the dataset.</p> <p> </p> <table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p>ESR8 & ESR9 - Round Robin</p> </td> </tr> <tr> <td> <p>Project Label</p> </td> <td> <p>RR3</p> </td> </tr> <tr> <td> <p>Sample Label</p> </td> <td> <p>RR3-S3_PRAHA</p> </td> </tr> <tr> <td> <p>Data set Label</p> </td> <td> <p>RR_Cry8</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td> <p>FEI TECNAI F30 STWIN</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p>FEG</p> </td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td> <p>300 kV</p> </td> </tr> <tr> <td> <p>Wavelength</p> </td> <td> <p>0.0197 Å</p> </td> </tr> <tr> <td> <p>Probe Type</p> </td> <td> <p>Nanodiffraction</p> </td> </tr> <tr> <td> <p>Beam Diameter</p> </td> <td> <p>200nm</p> </td> </tr> <tr> <td> <p>Beam Convergence</p> </td> <td> <p>Semi-parallel beam</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p>US4000 - CCD camera GATAN (16-bit) (bottom mounted)</p> </td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td> <p>1024 x 1024</p> </td> </tr> <tr> <td> <p>Pixel size</p> </td> <td> <p>15 µm x 15 µm</p> </td> </tr> <tr> <td> <p>Camera length / Effective Camera length</p> </td> <td> <p>1000 mm / 1153 mm</p> </td> </tr> <tr> <td> <p>Calibration constant (not corrected for Effective Camera length)</p> </td> <td> <p>0.00252 Å<sup>-1</sup>/pixel</p> </td> </tr> <tr> <td> <p>Hardware Binning</p> </td> <td> <p>4</p> </td> </tr> <tr> <td> <p><strong>Sample description:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Name</p> </td> <td> <p>S-Ibuprofen</p> </td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td> <p>C<sub>13</sub>H<sub>18</sub>O<sub>2</sub></p> </td> </tr> <tr> <td> <p>Sample source</p> </td> <td> </td> </tr> <tr> <td> <p>Sample preparation</p> </td> <td> <p>Crystals were grinded in an Agatha mortar, and part of the resulting powder was loaded directly on the carbon side of a carbon-coated copper grid (300 mesh). Sample cooled to liquid nitrogen temperature in the pre-specimen chamber.</p> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p>Precession</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td> <p>77 K</p> </td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td> <p>1</p> </td> </tr> <tr> <td> <p>Number of experimental frames</p> </td> <td> <p>116</p> </td> </tr> <tr> <td> <p>tilt range, tilt step, tilt per frame</p> </td> <td> <p>-50° to +65°, 1°, 0°</p> </td> </tr> <tr> <td> <p>Precession angle</p> </td> <td> <p>1°</p> </td> </tr> <tr> <td> <p>Exposure time per frame</p> </td> <td> <p>1 s</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Software:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p>Gatan Digital Micrograph software</p> </td> </tr> <tr> <td> <p>Software used for processing</p> </td> <td> <p>PETS2 and eADT</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Authorship and bibliography</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Author(s) of the data</p> </td> <td> <p>Laura Gemmrich Hernández (ESR8) & Marco Santucci (ESR9)</p> </td> </tr> <tr> <td> <p>Related data</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Publication(s)</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Files and data formats</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Image folder</p> </td> <td> <p>img: Folder containing images of the diffraction pattern from each frame.</p> </td> </tr> <tr> <td> <p>Image format</p> </td> <td> <p>tiff_16bit_unsigned</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> </tbody> </table> <p> </p>
Epidote - Sample 1 NanED, Data ESR1 & ESR2
<p>The following submission contains the data collection frames for the sample Epidote under the NanEd round-robin project. Precession Electron Diffraction (PED) was carried out on a single crystal. The datasets were processed with PETS2 software and refined kinematically and dynamically using Jana. The table below summarizes the data collection parameters for the data sets.</p> <p> </p> <table> <tbody> <tr> <td><strong>General Information</strong></td> <td> </td> </tr> <tr> <td>Project</td> <td>NanED (www.naned.eu)</td> </tr> <tr> <td>ESR Project</td> <td>ESR1 & ESR2</td> </tr> <tr> <td><strong>Instrumental</strong></td> <td> </td> </tr> <tr> <td>Instrument</td> <td>Zeiss Libra 120</td> </tr> <tr> <td>Radiation source</td> <td>LaB6</td> </tr> <tr> <td>Accelerating voltage</td> <td>120 kV</td> </tr> <tr> <td>Wavelength</td> <td>0.0335 Å</td> </tr> <tr> <td>Probe Type</td> <td>Nanodiffraction</td> </tr> <tr> <td>Beam Diameter</td> <td>150 nm</td> </tr> <tr> <td>Beam Convergence</td> <td>Parallel beam</td> </tr> <tr> <td>Detector</td> <td>Timepix Single Electron Detector</td> </tr> <tr> <td>Number of pixels in the image</td> <td>512 x 512</td> </tr> <tr> <td>Physical pixel size</td> <td>55 µm * 55 µm</td> </tr> <tr> <td>Effective camera length</td> <td>144 mm</td> </tr> <tr> <td>Calibration constant</td> <td>0.006027 Å<sup>-1</sup>/pixel</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Sample description</strong></td> <td> </td> </tr> <tr> <td>Name</td> <td>Epidote</td> </tr> <tr> <td>Chemical composition</td> <td>Ca<sub>2</sub>Fe<sub>x</sub>Al<sub>3</sub>-<sub>x</sub>Si<sub>3</sub>O<sub>13</sub>H</td> </tr> <tr> <td>Sample source</td> <td>Natural source from Val d'Ossola, Italy</td> </tr> <tr> <td>Sample preparation</td> <td>Crushed with a mortar and diluted using isopropanol before depositing a drop on a Cu grid.</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Experimental</strong></td> <td> </td> </tr> <tr> <td>Data type</td> <td>3D Electron Diffraction (3D-ED)</td> </tr> <tr> <td>Data collection method</td> <td>Precession</td> </tr> <tr> <td>Precession semiangle</td> <td>1º</td> </tr> <tr> <td>Temperature</td> <td>293 K</td> </tr> <tr> <td>Number of crystals contributing to the dataset</td> <td>1</td> </tr> <tr> <td>Number of experimental frames</td> <td>121</td> </tr> <tr> <td>Tilt range, tilt step</td> <td>+60º to -60º, -1º</td> </tr> <tr> <td>Exposure time per frame</td> <td>1000 ms</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Software</strong></td> <td> </td> </tr> <tr> <td>Software used for data collection</td> <td>WinTEM (Zeiss), Digistar (NanoMEGAS) and Sophy (Software for Physics)</td> </tr> <tr> <td>Software used for processing</td> <td>PETS2</td> </tr> <tr> <td>Software used for solution</td> <td>Jana</td> </tr> <tr> <td>Software used for refinement</td> <td>Jana</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Authorship and bibliography</strong></td> <td> </td> </tr> <tr> <td>Author(s) of the data</td> <td>Moussa Diame FAYE (ESR1) & Vincentia Emerson Agbemeh (ESR2)</td> </tr> <tr> <td>Related data</td> <td> </td> </tr> <tr> <td>Publication(s)</td> <td> </td> </tr> <tr> <td> </td> <td> </td> </tr> </tbody> </table>
Natrolite - Sample 2 NanED Round Robin, Data: ESR12
<p><strong><em>Natrolite</em></strong></p> <p>The following submission contains the data collection and processing of datasets for the sample epidote under the NanEd round-robin project. A single crystal was identified, 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.</p> <p> </p> <p> </p> <p><strong>Precession:</strong></p> <table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p>ESR12 - Round Robin</p> </td> </tr> <tr> <td> <p>Project Label</p> </td> <td> <p>RR1</p> </td> </tr> <tr> <td> <p>Sample Label</p> </td> <td> <p>RR1-S2</p> </td> </tr> <tr> <td> <p>Data set Label</p> </td> <td> <p>RR1-sample2-PEDT</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td> <p>Transmission electron microscope Jeol F200</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p>Cold FEG</p> </td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td> <p>200 kV</p> </td> </tr> <tr> <td> <p>Wavelength</p> </td> <td> <p>0.0251 Å</p> </td> </tr> <tr> <td> <p>Probe Type</p> </td> <td> <p>Microdiffraction</p> </td> </tr> <tr> <td> <p>Beam Diameter</p> </td> <td> <p>75nm</p> </td> </tr> <tr> <td> <p>Beam Convergence</p> </td> <td> <p>Parallel beam, convergence <0.1mrad</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p>Hybrid pixel detector ASI Cheetah M3 (bottom mounted)</p> </td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td> <p>512 x 512</p> </td> </tr> <tr> <td> <p>Pixel size</p> </td> <td> <p>55 µm x 55 µm</p> </td> </tr> <tr> <td> <p>Effective camera length</p> </td> <td> <p>250 mm</p> </td> </tr> <tr> <td> <p>Calibration constant</p> </td> <td> <p>0.005835 Å<sup>-1</sup>/pixel</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Sample description:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Name</p> </td> <td> <p>Natrolite</p> </td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td> <p>Na<sub>2</sub>Si<sub>3</sub>Al<sub>2</sub>O<sub>10</sub>.(H<sub>2</sub>O)<sub>2</sub></p> </td> </tr> <tr> <td> <p>Sample source</p> </td> <td> </td> </tr> <tr> <td> <p>Sample preparation</p> </td> <td> <p>Powder crushed in a mortar and dispersed in n-butanol, drop deposited on a Cu grid with holey C film</p> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p>Precession</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td> <p>293 K</p> </td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td> <p>1</p> </td> </tr> <tr> <td> <p>Number of experimental frames</p> </td> <td> <p>109</p> </td> </tr> <tr> <td> <p>tilt range, tilt step, tilt per frame</p> </td> <td> <p>-49° to +59°, 1°, 0°</p> </td> </tr> <tr> <td> <p>Precession angle</p> </td> <td> <p>1.35°</p> </td> </tr> <tr> <td> <p>Exposure time per frame</p> </td> <td> <p>500ms</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Software:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p>Instamatic software</p> </td> </tr> <tr> <td> <p>Software used for processing</p> </td> <td> <p>PETS2 (ver 2.1.20211012.1037)</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Authorship and bibliography</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Author(s) of the data</p> </td> <td> <p>Sara Passuti (ESR12)</p> </td> </tr> <tr> <td> <p>Related data</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Publication(s)</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Files and data formats</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Image folder</p> </td> <td> <p>tiff : Folder containing images of the diffraction pattern from each frames.</p> </td> </tr> <tr> <td> <p>Image format</p> </td> <td> <p>tiff_16bit</p> </td> </tr> <tr> <td> <p>Additional folders/files</p> </td> <td> <p>sample2_crystal_image : image of the crystal</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>sample2-exp3_petsdata : Log files of PETS2 processing</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>sample2-exp3.pts2 : input file for the program PETS2 used for processing the data</p> </td> </tr> </tbody> </table> <p> </p> <table> <tbody> <tr> <td> <p><strong>Notes:</strong></p> <p>*Project Label "RR1" stands for Round Robin 1</p> <p>*Data set label "RR1-sample2-PEDT" stands for Round Robin 1 sample 2, data collection method Precession.</p> <p>*The additional files can be found in the folder:</p> <p>Precession\data_collection_processing</p> </td> </tr> </tbody> </table>
Epidote - Sample 1 NanED Round Robin, Data: ESR12
<p><strong><em>Epidote</em></strong></p> <p>The following submission contains the data collection and processing of datasets for the sample epidote under the NanEd round-robin project. A single crystal was identified, and precession data acquisition techniques were used to collect datasets on the same crystal. 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.</p> <p><strong>Precession:</strong></p> <table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p>ESR12 - Round Robin</p> </td> </tr> <tr> <td> <p>Project Label</p> </td> <td> <p>RR1</p> </td> </tr> <tr> <td> <p>Sample Label</p> </td> <td> <p>RR1-S1</p> </td> </tr> <tr> <td> <p>Data set Label</p> </td> <td> <p>RR1-sample1-PEDT</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td> <p>Transmission electron microscope Jeol F200</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p>Cold FEG</p> </td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td> <p>200 kV</p> </td> </tr> <tr> <td> <p>Wavelength</p> </td> <td> <p>0.0251 Å</p> </td> </tr> <tr> <td> <p>Probe Type</p> </td> <td> <p>Microdiffraction</p> </td> </tr> <tr> <td> <p>Beam Diameter</p> </td> <td> <p>75nm</p> </td> </tr> <tr> <td> <p>Beam Convergence</p> </td> <td> <p>Parallel beam, convergence <0.1mrad</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p>Hybrid pixel detector ASI Cheetah M3 (bottom mounted)</p> </td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td> <p>512 x 512</p> </td> </tr> <tr> <td> <p>Pixel size</p> </td> <td> <p>55 µm x 55 µm</p> </td> </tr> <tr> <td> <p>Effective camera length</p> </td> <td> <p>200 mm</p> </td> </tr> <tr> <td> <p>Calibration constant</p> </td> <td> <p>0.00720 Å<sup>-1</sup>/pixel</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Sample description:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Name</p> </td> <td> <p>Epidote</p> </td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td> <p>Ca<sub>2</sub>Fe<sub>x</sub>Al<sub>3-x</sub>Si<sub>3</sub>O<sub>13</sub>H</p> </td> </tr> <tr> <td> <p>Sample source</p> </td> <td> <p>Natural source from Val d'Ossola, Italy</p> </td> </tr> <tr> <td> <p>Sample preparation</p> </td> <td> <p>Powder crushed on a mortar and dispersed in n-butanol, drop deposited on a Cu grid with holey C film</p> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p>PEDT</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td> <p>293 K</p> </td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td> <p>1</p> </td> </tr> <tr> <td> <p>Number of experimental frames</p> </td> <td> <p>95</p> </td> </tr> <tr> <td> <p>tilt range, tilt step, tilt per frame</p> </td> <td> <p>-49.4° to +61.6°, 1°, 0°</p> </td> </tr> <tr> <td> <p>Precession angle</p> </td> <td> <p>1.25°</p> </td> </tr> <tr> <td> <p>Exposure time per frame</p> </td> <td> <p>500ms</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Software:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p>Instamatic software</p> </td> </tr> <tr> <td> <p>Software used for processing</p> </td> <td> <p>PETS2 (ver 2.1.20211012.1037)</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Authorship and bibliography</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Author(s) of the data</p> </td> <td> <p>Sara Passuti (ESR12)</p> </td> </tr> <tr> <td> <p>Related data</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Publication(s)</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Files and data formats</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Image folder</p> </td> <td> <p>tiff : Folder containing images of the diffraction pattern from each frames.</p> </td> </tr> <tr> <td> <p>Image format</p> </td> <td> <p>tiff_16bit</p> </td> </tr> <tr> <td> <p>Additional folders/files</p> </td> <td> <p>sample1_crystal_image : image of the crystal</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>sample1-exp4_petsdata : Log files of PETS2 processing</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>sample1-exp4.pts2 :_input file for the program PETS2 used for processing the data</p> </td> </tr> </tbody> </table> <p> </p> <table> <tbody> <tr> <td> <p><strong>Notes:</strong></p> <p>*Project Label "RR1" stands for Round Robin 1</p> <p>*Data set label "RR1-sample-PEDT" stands for Round Robin 1 sample 1, data collection method Precession.</p> <p>*The additional files can be found in the folder:</p> <p>Precession\Data_collection_processing</p> </td> </tr> </tbody> </table>
Enantiopure Ibuprofen - Sample 3 NanED, Data ESR1 & ESR2
<strong>General Information</strong> Project NanED (www.naned.eu) ESR Project ESR1 & ESR2 <strong>Instrumental</strong> Instrument Zeiss Libra 120 Radiation source LaB6 Accelerating voltage 120 kV Wavelength 0.0335 Å Probe Type Nanodiffraction Beam Diameter 600 nm Beam Convergence Parallel beam Detector Timepix Single Electron Detector Number of pixels in the image 512 x 512 Physical pixel size 55 µm * 55 µm Effective camera length 180 mm Calibration constant 0.004815 Å<sup>-1</sup>/pixel <strong>Sample description</strong> Name Ibuprofen Chemical composition C<sub>13</sub>H<sub>18</sub>O<sub>2</sub> Sample source Thermo Scientific (catalog. No: 333200050, lot: A0424385) Sample preparation Crushed between two glass slides <strong>Experimental</strong> Data type 3D Electron Diffraction (3D-ED) Data collection method Continuous Rotation Electron Diffraction (CRED) Rotation Speed 1.125 º/s Temperature 95.15 K Number of crystals contributing to the dataset 1 Number of experimental frames 226 Tilt range, tilt step -60º to +55, 0.5º Exposure time per frame 450 ms <strong>Software</strong> Software used for data collection WinTEM (Zeiss), Digistar (NanoMEGAS) and Sophy (Software for Physics) Software used for processing Pets2 Software used for solution Shelxt Software used for refinement Jana, Olex2 <strong>Authorship and bibliography</strong> Author(s) of the data Moussa Diame FAYE (ESR1) & Vincentia Emerson Agbemeh (ESR2) Related data Publication(s) <p> </p> <p><strong>Precession:</strong></p> <strong>General Information</strong> Project NanED (www.naned.eu) ESR Project ESR1 & ESR2 <strong>Instrumental</strong> Instrument Zeiss Libra 120 Radiation source LaB6 Accelerating voltage 120 kV Wavelength 0.0335 Å Probe Type Nanodiffraction Beam Diameter 150 nm Beam Convergence Parallel beam Detector Timepix Single Electron Detector Number of pixels in the image 512 x 512 Physical pixel size 55 µm * 55 µm Effective camera length 180 mm Calibration constant 0.004815 Å<sup>-1</sup>/pixel <strong>Sample description</strong> Name Ibuprofen Chemical composition C<sub>13</sub>H<sub>18</sub>O<sub>2</sub> Sample source Thermo Scientific (catalog. No: 333200050, lot: A0424385) Sample preparation Crushed between two glass slides <strong>Experimental</strong> Data type 3D Electron Diffraction (3D-ED) Data collection method Precession Precession Semiangle 1º Temperature 95.15 K Number of crystals contributing to the dataset 1 Number of experimental frames 104 Tilt range, tilt step -60 to +55, 1º Exposure time per frame 1000 ms <strong>Software</strong> Software used for data collection WinTEM (Zeiss), Digistar (NanoMEGAS) and Sophy (Software for Physics) Software used for processing PETS2 Software used for solution Shelxt Software used for refinement Jana <strong>Authorship and bibliography</strong> Author(s) of the data Moussa Diame FAYE (ESR1) & Vincentia Emerson Agbemeh (ESR2) Related data Publication(s)
Natrolite - Sample 2 NanED Round Robin, Data: ESR10
<p><strong><em>Natrolite</em></strong></p> <p>The following submission contains the data collection and processing of the dataset for the sample natrolite under the NanEd round-robin project. A single crystal was identified, and the rotation data acquisition technique was used to collect the dataset on the same crystal. The dataset was processed with XDS software. The table below summarizes the data collection parameters for the dataset. The following data is also in the data folder as a Word file.</p> <p> </p> <p><strong>Continuous Rotation:</strong></p> <table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p>ESR10 - Round Robin</p> </td> </tr> <tr> <td> <p>Project Label</p> </td> <td> <p>RR-2</p> </td> </tr> <tr> <td> <p>Sample Label</p> </td> <td> <p>RR-2_SU</p> </td> </tr> <tr> <td> <p>Data set Label</p> </td> <td> <p>RR-2</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td> <p>Transmission electron microscope JEOL 2100 LaB6</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p>LaB6</p> </td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td> <p>200 kV</p> </td> </tr> <tr> <td> <p>Wavelength</p> </td> <td> <p>0.0251 Å</p> </td> </tr> <tr> <td> <p>Probe Type</p> </td> <td> <p>Parallel beam</p> </td> </tr> <tr> <td> <p>Beam Diameter</p> </td> <td> <p>6 μm</p> </td> </tr> <tr> <td> <p>Beam Convergence</p> </td> <td> <p>Parallel beam, convergence <0.1mrad</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p>Hybrid pixel detector ASI Timepix (bottom mounted)</p> </td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td> <p>512 x 512</p> </td> </tr> <tr> <td> <p>Pixel size</p> </td> <td> <p>55 µm x 55 µm</p> </td> </tr> <tr> <td> <p>Effective camera length</p> </td> <td> <p>250 mm</p> </td> </tr> <tr> <td> <p>Calibration constant</p> </td> <td> <p>0.004990 Å<sup>-1</sup>/pixel</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Sample description:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Name</p> </td> <td> <p>Natrolite</p> </td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td> <p>Na<sub>2</sub>Si<sub>3</sub>Al<sub>2</sub>O<sub>10</sub>.(H<sub>2</sub>O)<sub>2</sub></p> </td> </tr> <tr> <td> <p>Sample source</p> </td> <td> </td> </tr> <tr> <td> <p>Sample preparation</p> </td> <td> <p>Powder crushed in an agate mortar and deposited on a Cu grid with lacey C film</p> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p>Continuous Rotation</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td> <p>293 K</p> </td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td> <p>1</p> </td> </tr> <tr> <td> <p>Number of experimental frames</p> </td> <td> <p>513</p> </td> </tr> <tr> <td> <p>tilt range, tilt step, tilt per frame</p> </td> <td> <p> -48.35°-70.58°, 0.453°/s, 0.2318°/frame</p> </td> </tr> <tr> <td> <p>Exposure time per frame</p> </td> <td> <p>0.5</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Software:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p>Instamatic</p> </td> </tr> <tr> <td> <p>Software used for processing</p> </td> <td> <p>XDS</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Authorship and bibliography</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Author(s) of the data</p> </td> <td> <p>Lei Wang (ESR 10)</p> </td> </tr> <tr> <td> <p>Related data</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Publication(s)</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Files and data formats</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Image folder</p> </td> <td> <p>REDp: Folder containing images of the diffraction pattern from each frame</p> <p>XDS: Folder containing images of the diffraction pattern from each frame</p> </td> </tr> <tr> <td> <p>Image format</p> </td> <td> <p>mrc and img</p> </td> </tr> <tr> <td> <p>Additional folders/files</p> </td> <td> <p>Crystal image : image of the crystal</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>cRED_log: log file of data collection</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>1.ed3d: input file for REDp</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>XDS.INP: input file for the program XDS</p> </td> </tr> </tbody> </table> <p> </p> <table> <tbody> <tr> <td> <p><strong>Notes:</strong></p> <p>*Project Label "RR-2" stands for Round Robin 2</p> <p>*RR-2 contains 1 dataset.</p> </td> </tr> </tbody> </table>
Epidote - Sample 1 NanED Round Robin, Data ESR3
<table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p>ESR3</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td> <p>FEI TECNAI</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p>FEG</p> </td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td> <p>200 kV</p> </td> </tr> <tr> <td> <p>Wavelength</p> </td> <td> <p>0.0251 Å</p> </td> </tr> <tr> <td> <p>Acquisiton Method</p> </td> <td> <p>SAED</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p>Eagle – CCD Camera</p> </td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td> <p>2048 x 2048</p> </td> </tr> <tr> <td> <p>Calibration constant (not corrected for Effective Camera length)</p> </td> <td> <p>0.00182 Å<sup>-1</sup>/pixel</p> </td> </tr> <tr> <td> <p><strong>Sample description:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Name</p> </td> <td> <p>Epidote</p> </td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td> <p>Ca2FexAl3-xSi3O13H</p> </td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p>Stepwise</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td> <p>293 K</p> </td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td> <p>1</p> </td> </tr> <tr> <td> <p>Number of experimental frames</p> </td> <td> <p>351</p> </td> </tr> <tr> <td> <p>tilt range, tilt step</p> </td> <td> <p>-35° to +35°, 0.2°</p> </td> </tr> <tr> <td> <p>Exposure time per frame</p> </td> <td> <p>1s</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Software:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p>TIA</p> </td> </tr> <tr> <td> <p>Software used for processing</p> </td> <td> <p>PETS2</p> </td> </tr> <tr> <td> <p>Software used for Solution</p> </td> <td> <p>Jana</p> </td> </tr> <tr> <td> <p>Software used for refinement</p> </td> <td> <p>Olex2</p> </td> </tr> </tbody> </table>
Natrolite - Sample 2 NanED Round Robin, Data ESR3
<table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p>ESR3</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td> <p>FEI Titan</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p>FEG</p> </td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td> <p>300 kV</p> </td> </tr> <tr> <td> <p>Wavelength</p> </td> <td> <p>0.0197 Å</p> </td> </tr> <tr> <td> <p>Acquisiton Method</p> </td> <td> <p>Nanodiffraction</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p>US1000 – CCD Camera</p> </td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td> <p>2048 x 2048</p> </td> </tr> <tr> <td> <p>Calibration constant (not corrected for Effective Camera length)</p> </td> <td> <p>0.00179 Å<sup>-1</sup>/pixel</p> </td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td> <p><strong>Sample description:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Name</p> </td> <td> <p>Natrolite</p> </td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td> <p>Ca2FexAl3-xSi3O13H</p> </td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p>Stepwise</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td> <p>293 K</p> </td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td> <p>1</p> </td> </tr> <tr> <td> <p>Number of experimental frames</p> </td> <td> <p>626</p> </td> </tr> <tr> <td> <p>tilt range, tilt step</p> </td> <td> <p>-70° to +70°, 0.2°</p> </td> </tr> <tr> <td> <p>Exposure time per frame</p> </td> <td> <p>1s</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Software:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p>TIA</p> </td> </tr> <tr> <td> <p>Software used for processing</p> </td> <td> <p>PETS2</p> </td> </tr> <tr> <td> <p>Software used for solution</p> </td> <td> <p>Jana</p> </td> </tr> <tr> <td> <p>Software used for refinement</p> </td> <td> <p>Olex2</p> </td> </tr> </tbody> </table>
Epidote - Sample 1 NanED Round Robin, Data: ESR10
<p><strong><em>Epidote</em></strong></p> <p>The following submission contains the data collection of datasets for the sample epidote under the NanEd round-robin project. 5 single crystals were identified, and the continuous rotation data acquisition technique was used to collect datasets. All the datasets were processed with REDp, XDS and shelx software. The table below summarizes the data collection parameters for the datasets. The following data is also in the zip folder as a word file.</p> <p><strong>Continuous Rotation:</strong></p> <table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p>ESR10 - Round Robin</p> </td> </tr> <tr> <td> <p>Project Label</p> </td> <td> <p>RR-1</p> </td> </tr> <tr> <td> <p>Sample Label</p> </td> <td> <p>RR-1_SU</p> </td> </tr> <tr> <td> <p>Data set Label</p> </td> <td> <p>RR1-1 to 5</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td> <p>Transmission electron microscope JEOL 2100 LaB6</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p>LaB6</p> </td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td> <p>200 kV</p> </td> </tr> <tr> <td> <p>Wavelength</p> </td> <td> <p>0.0251 Å</p> </td> </tr> <tr> <td> <p>Probe Type</p> </td> <td> <p>Parallel beam</p> </td> </tr> <tr> <td> <p>Beam Diameter</p> </td> <td> <p>6 μm</p> </td> </tr> <tr> <td> <p>Beam Convergence</p> </td> <td> <p>Parallel beam, convergence <0.1mrad</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p>Hybrid pixel detector ASI Timepix (bottom mounted)</p> </td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td> <p>512 x 512</p> </td> </tr> <tr> <td> <p>Pixel size</p> </td> <td> <p>55 µm x 55 µm</p> </td> </tr> <tr> <td> <p>Effective camera length</p> </td> <td> <p>250 mm</p> </td> </tr> <tr> <td> <p>Calibration constant</p> </td> <td> <p>0.004990 Å<sup>-1</sup>/pixel</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Sample description:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Name</p> </td> <td> <p>Epidote</p> </td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td> <p>Ca<sub>2</sub>Fe<sub>x</sub>Al<sub>3-x</sub>Si<sub>3</sub>O<sub>13</sub>H</p> </td> </tr> <tr> <td> <p>Sample source</p> </td> <td> <p>Natural source from Val d'Ossola, Italy</p> </td> </tr> <tr> <td> <p>Sample preparation</p> </td> <td> <p>Powder crushed in an agate mortar and deposited on a Cu grid with lacey C film</p> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p>Continuous Rotation</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td> <p>293 K</p> </td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td> <p>5</p> </td> </tr> <tr> <td> <p>Number of experimental frames</p> </td> <td> <p>See cRED_log.txt in each dataset</p> </td> </tr> <tr> <td> <p>tilt range, tilt step, tilt per frame</p> </td> <td> <p>See cRED_log.txt in each dataset</p> </td> </tr> <tr> <td> <p>Exposure time per frame</p> </td> <td> <p>See cRED_log.txt in each dataset</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Software:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p>Instamatic</p> </td> </tr> <tr> <td> <p>Software used for processing</p> </td> <td> <p>XDS</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Authorship and bibliography</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Author(s) of the data</p> </td> <td> <p>Lei Wang (ESR 10)</p> </td> </tr> <tr> <td> <p>Related data</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Publication(s)</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Files and data formats</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Image folder</p> </td> <td> <p>REDp: Folder containing images of the diffraction pattern from each frame</p> <p>XDS: Folder containing images of the diffraction pattern from each frame</p> </td> </tr> <tr> <td> <p>Image format</p> </td> <td> <p>mrc and img</p> </td> </tr> <tr> <td> <p>Additional folders/files</p> </td> <td> <p>Crystal image : image of the crystal</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>cRED_log: log file of data collection</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>1.ed3d: input file for REDp</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>XDS.INP: input file for the program XDS</p> </td> </tr> </tbody> </table> <p> </p> <table> <tbody> <tr> <td> <p><strong>Notes:</strong></p> <p>*Project Label "RR-1" stands for Round Robin 1</p> <p>*RR-1 contains 5 individual datasets.</p> </td> </tr> </tbody> </table>
Ibuprofen - Sample 3 NanED Round Robin, Data: ESR10
<p><strong><em>Ibuprofen</em></strong></p> <p>The following submission contains the data collection of datasets for the sample ibuprofen under the NanEd round-robin project. 10 crystals were identified, and datasets were collected using the continuous rotation data acquisition technique at liquid nitrogen temperature. All the datasets were processed with XDS software. The table below summarizes the data collection parameters for the datasets. The following data is also in the data folder as a Word file.</p> <p> </p> <p><strong>Continuous Rotation:</strong></p> <table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p>ESR10 - Round Robin</p> </td> </tr> <tr> <td> <p>Project Label</p> </td> <td> <p>RR-3</p> </td> </tr> <tr> <td> <p>Sample Label</p> </td> <td> <p>RR-3_SU</p> </td> </tr> <tr> <td> <p>Data set Label</p> </td> <td> <p>RR3-1 to 10</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td> <p>Transmission electron microscope JEOL 2100 LaB6,</p> <p>Gatan 914 cryo-holder</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p>LaB6</p> </td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td> <p>200 kV</p> </td> </tr> <tr> <td> <p>Wavelength</p> </td> <td> <p>0.0251 Å</p> </td> </tr> <tr> <td> <p>Probe Type</p> </td> <td> <p>Parallel beam</p> </td> </tr> <tr> <td> <p>Beam Diameter</p> </td> <td> <p>6 μm</p> </td> </tr> <tr> <td> <p>Beam Convergence</p> </td> <td> <p>Parallel beam, convergence <0.1mrad</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p>Hybrid pixel detector ASI Timepix (bottom mounted)</p> </td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td> <p>512 x 512</p> </td> </tr> <tr> <td> <p>Pixel size</p> </td> <td> <p>55 µm x 55 µm</p> </td> </tr> <tr> <td> <p>Effective camera length</p> </td> <td> <p>250 mm, 300 mm</p> </td> </tr> <tr> <td> <p>Calibration constant</p> </td> <td> <p>0.004990 Å<sup>-1</sup>/pixel, 0.004120 Å<sup>-1</sup>/pixel</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Sample description:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Name</p> </td> <td> <p>Ibuprofen</p> </td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td> <p>C<sub>13</sub>H<sub>18</sub>O<sub>2</sub></p> </td> </tr> <tr> <td> <p>Sample source</p> </td> <td> <p>Thermo Scientific (catalog. No: 333200050, lot: A0424385)</p> </td> </tr> <tr> <td> <p>Sample preparation</p> </td> <td> <p>Powder crushed in an agate mortar and deposited on a Cu Quantifoil grid, 300 mesh, R3.5/1.</p> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p>Continuous Rotation</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td> <p>95.15 K</p> </td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td> <p>10</p> </td> </tr> <tr> <td> <p>Number of experimental frames</p> </td> <td> <p>See cRED_log.txt in each dataset</p> </td> </tr> <tr> <td> <p>tilt range, tilt step, tilt per frame</p> </td> <td> <p>See cRED_log.txt in each dataset</p> </td> </tr> <tr> <td> <p>Exposure time per frame</p> </td> <td> <p>See cRED_log.txt in each dataset</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Software:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p>Instamatic</p> </td> </tr> <tr> <td> <p>Software used for processing</p> </td> <td> <p>XDS</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Authorship and bibliography</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Author(s) of the data</p> </td> <td> <p>Lei Wang (ESR 10)</p> </td> </tr> <tr> <td> <p>Related data</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Publication(s)</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Files and data formats</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Image folder</p> </td> <td> <p>REDp: Folder containing images of the diffraction pattern from each frame</p> <p>XDS: Folder containing images of the diffraction pattern from each frame</p> </td> </tr> <tr> <td> <p>Image format</p> </td> <td> <p>mrc and img</p> </td> </tr> <tr> <td> <p>Additional folders/files</p> </td> <td> <p>Crystal image : images of the crystal</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>cRED_log: log file of data collection</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>1.ed3d: input file for REDp</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p>XDS.INP: input file for the program XDS</p> </td> </tr> </tbody> </table> <p> </p> <table> <tbody> <tr> <td> <p><strong>Notes:</strong></p> <p>*Project Label "RR-3" stands for Round Robin 3</p> <p>*RR-3 contains 10 individual datasets.</p> </td> </tr> </tbody> </table>
Natrolite - Sample 2 NanED Round Robin, Data: ESR8 & ESR9
<p><em><strong>Natrolite</strong></em></p> <p>The following submission contains the data collection and processing for the sample natrolite under the NanEd round-robin project. Precession Electron Diffraction (PED) was used to collect the dataset on the target crystal. The dataset was processed with PETS2 and eADT software. The table below summarizes the data collection parameters for the dataset.</p> <p> </p> <table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p>ESR8 & ESR9 - Round Robin</p> </td> </tr> <tr> <td> <p>Project Label</p> </td> <td> <p>RR2</p> </td> </tr> <tr> <td> <p>Sample Label</p> </td> <td> <p>RR2-S2_ PRAHA</p> </td> </tr> <tr> <td> <p>Data set Label</p> </td> <td> <p>RR2_Cry2</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td> <p>FEI TECNAI F30 STWIN</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p>FEG</p> </td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td> <p>300 kV</p> </td> </tr> <tr> <td> <p>Wavelength</p> </td> <td> <p>0.0197 Å</p> </td> </tr> <tr> <td> <p>Probe Type</p> </td> <td> <p>Nanodiffraction</p> </td> </tr> <tr> <td> <p>Beam Diameter</p> </td> <td> <p>200nm</p> </td> </tr> <tr> <td> <p>Beam Convergence</p> </td> <td> <p>Semi-parallel beam</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p>US4000 - CCD camera GATAN (16-bit) (bottom mounted)</p> </td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td> <p>2048 x 2048</p> </td> </tr> <tr> <td> <p>Pixel size</p> </td> <td> <p>15 µm x 15 µm</p> </td> </tr> <tr> <td> <p>Camera Length / Effective Camera Length</p> </td> <td> <p>750 mm / 702 mm</p> </td> </tr> <tr> <td> <p>Calibration constant (not corrected for Effective Camera length)</p> </td> <td> <p>0.00152 Å<sup>-1</sup>/pixel</p> </td> </tr> <tr> <td> <p> Hardware Binning</p> </td> <td> <p>2 </p> </td> </tr> <tr> <td> <p><strong>Sample description:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Name</p> </td> <td> <p>Natrolite</p> </td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td> <p>Na<sub>2</sub>Al<sub>2</sub>Si<sub>3</sub>O<sub>10</sub>·2H<sub>2</sub>O</p> </td> </tr> <tr> <td> <p>Sample source</p> </td> <td> <p>Natural sample from Marianska Skala, Usti nad Labem, Czechia</p> </td> </tr> <tr> <td> <p>Sample preparation</p> </td> <td> <p>The crystals were grinded in an agata mortar and part of the resulting powder was loaded on the carbon side of a carbon-coated copper grid (300 mesh).</p> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p>Precession</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td> <p>293 K</p> </td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td> <p>1</p> </td> </tr> <tr> <td> <p>Number of experimental frames</p> </td> <td> <p>131</p> </td> </tr> <tr> <td> <p>tilt range, tilt step, tilt per frame</p> </td> <td> <p>-65° to +65°, 1°, 0°</p> </td> </tr> <tr> <td> <p>Precession angle</p> </td> <td> <p>1°</p> </td> </tr> <tr> <td> <p>Exposure time per frame</p> </td> <td> <p>250 ms</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Software:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p>Gatan Digital Micrograph software</p> </td> </tr> <tr> <td> <p>Software used for processing</p> </td> <td> <p>PETS2 and eADT</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Authorship and bibliography</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Author(s) of the data</p> </td> <td> <p>Laura Gemmrich Hernández (ESR8) & Marco Santucci (ESR9)</p> </td> </tr> <tr> <td> <p>Related data</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Publication(s)</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Files and data formats</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Image folder</p> </td> <td> <p>img: Folder containing images of the diffraction pattern from each frame.</p> </td> </tr> <tr> <td> <p>Image format</p> </td> <td> <p>tiff_16bit_unsigned</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> </tbody> </table> <p> </p> <p> </p> <p> </p>
Epidote - Sample 1 NanED Round Robin, Data: ESR8 & ESR9
<p><em><strong>Epidote</strong></em></p> <p>The following submission contains the data collection and processing for the sample epidote under the NanEd round-robin project. Precession Electron Diffraction (PED) was used to collect the dataset on the target crystal. The dataset was processed with PETS2 and eADT software. The table below summarizes the data collection parameters for the dataset.</p> <p> </p> <table> <tbody> <tr> <td> <p><strong>General information:</strong></p> </td> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Project</p> </td> <td> <p> </p> </td> <td> <p>NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p>ESR Project</p> </td> <td> <p> </p> </td> <td> <p>ESR8 & ESR9 - Round Robin</p> </td> </tr> <tr> <td> <p>Project Label</p> </td> <td> <p> </p> </td> <td> <p>RR1</p> </td> </tr> <tr> <td> <p>Sample Label</p> </td> <td> <p> </p> </td> <td> <p>RR1-S1_PISA</p> </td> </tr> <tr> <td> <p>Data set Label</p> </td> <td> <p> </p> </td> <td> <p>RR_Cry4</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Instrumental:</strong></p> </td> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Instrument</p> </td> <td> <p> </p> </td> <td> <p>FEI TECNAI F30 STWIN</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p> </p> </td> <td> <p>FEG</p> </td> </tr> <tr> <td> <p>Accelerating voltage</p> </td> <td> <p> </p> </td> <td> <p>300 kV</p> </td> </tr> <tr> <td> <p>Wavelength</p> </td> <td> <p> </p> </td> <td> <p>0.0197 Å</p> </td> </tr> <tr> <td> <p>Probe Type</p> </td> <td> <p> </p> </td> <td> <p>Nanodiffraction</p> </td> </tr> <tr> <td> <p>Beam Diameter</p> </td> <td> <p> </p> </td> <td> <p>200nm</p> </td> </tr> <tr> <td> <p>Beam Convergence</p> </td> <td> <p> </p> </td> <td> <p>Semi-parallel beam</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p> </p> </td> <td> <p>US4000 - CCD camera GATAN (16-bit) (bottom mounted)</p> </td> </tr> <tr> <td> <p>Number of pixels in the image</p> </td> <td> <p> </p> </td> <td> <p>2048 x 2048</p> </td> </tr> <tr> <td> <p>Pixel size</p> </td> <td> <p> </p> </td> <td> <p>15 µm x 15 µm</p> </td> </tr> <tr> <td> <p>Camera Length / Effective Camera Length</p> </td> <td> <p> </p> </td> <td> <p>1000 mm / 1200 mm</p> </td> </tr> <tr> <td> <p>Calibration constant (not corrected for Effective Camera length)</p> </td> <td> <p> </p> </td> <td> <p>0.00126 Å<sup>-1</sup>/pixel</p> </td> </tr> <tr> <td> <p> Hardware Binning</p> </td> <td> <p> </p> </td> <td> <p>2 </p> </td> </tr> <tr> <td> <p><strong>Sample description:</strong></p> </td> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Name</p> </td> <td> <p> </p> </td> <td> <p>Epidote</p> </td> </tr> <tr> <td> <p>Chemical composition</p> </td> <td> <p> </p> </td> <td> <p>Ca<sub>2</sub>Fe<sub>x</sub>Al<sub>3-x</sub>Si<sub>3</sub>O<sub>13</sub>H</p> </td> </tr> <tr> <td> <p>Sample source</p> </td> <td> <p> </p> </td> <td> <p>Natural source from Val d'Ossola, Italy</p> </td> </tr> <tr> <td> <p>Sample preparation</p> </td> <td> <p> </p> </td> <td> <p>Grinded in an Agatha mortar and suspended in 1ml of EtOH. 4 µL of the suspension were dropped with a pipette on the carbon side of a carbon-coated copper grid (300 mesh).</p> </td> </tr> <tr> <td> <p><strong>Experimental:</strong></p> </td> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Data Type</p> </td> <td> <p> </p> </td> <td> <p>Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p>Data collection method</p> </td> <td> <p> </p> </td> <td> <p>Precession</p> </td> </tr> <tr> <td> <p>Temperature (K) used during data collection</p> </td> <td> <p> </p> </td> <td> <p>293 K</p> </td> </tr> <tr> <td> <p>Number of crystals contributing to the data set</p> </td> <td> <p> </p> </td> <td> <p>1</p> </td> </tr> <tr> <td> <p>Number of experimental frames</p> </td> <td> <p> </p> </td> <td> <p>141</p> </td> </tr> <tr> <td> <p>tilt range, tilt step, tilt per frame</p> </td> <td> <p> </p> </td> <td> <p>-70° to +70°, 1°, 0°</p> </td> </tr> <tr> <td> <p>Precession angle</p> </td> <td> <p> </p> </td> <td> <p>1°</p> </td> </tr> <tr> <td> <p>Exposure time per frame</p> </td> <td> <p> </p> </td> <td> <p>2 s</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Software:</strong></p> </td> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Software used for the data collection</p> </td> <td> <p> </p> </td> <td> <p>Gatan Digital Micrograph software</p> </td> </tr> <tr> <td> <p>Software used for processing</p> </td> <td> <p> </p> </td> <td> <p>PETS2 and eADT</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Authorship and bibliography</strong></p> </td> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Author(s) of the data</p> </td> <td> <p> </p> </td> <td> <p>Laura Gemmrich Hernández (ESR8) & Marco Santucci (ESR9)</p> </td> </tr> <tr> <td> <p>Related data</p> </td> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Publication(s)</p> </td> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong>Files and data formats</strong></p> </td> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p>Image folder</p> </td> <td> <p> </p> </td> <td> <p>img: Folder containing images of the diffraction pattern from each frame.</p> </td> </tr> <tr> <td> <p>Image format</p> </td> <td> <p> </p> </td> <td> <p>tiff_16bit_unsigned</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> <td> <p> </p> </td> </tr> </tbody> </table> <p> </p> <p> </p>
Natrolite - Sample 2 NanED, Data ESR1 & ESR2
<p>The following submission contains the data collection frames for the sample Natrolite under the NanED round-robin project. Precession Electron Diffraction (PED) as well as Continuous Rotation Electron Diffraction were carried out on two different single crystal. The datasets were processed with PETS2 and XDS software and refined both kinematically and dynamically using Jana. The table below summarizes the data collection parameters for the data sets.</p> <p><strong>Continuous Rotation:</strong></p> <table> <tbody> <tr> <td><strong>General Information</strong></td> <td> </td> </tr> <tr> <td>Project</td> <td>NanED (www.naned.eu)</td> </tr> <tr> <td>ESR Project</td> <td>ESR1 & ESR2</td> </tr> <tr> <td><strong>Instrumental</strong></td> <td> </td> </tr> <tr> <td>Instrument</td> <td>Zeiss Libra 120</td> </tr> <tr> <td>Radiation source</td> <td>LaB6</td> </tr> <tr> <td>Accelerating voltage</td> <td>120 kV</td> </tr> <tr> <td>Wavelength</td> <td>0.0335 Å</td> </tr> <tr> <td>Probe Type</td> <td>Nanodiffraction</td> </tr> <tr> <td>Beam Diameter</td> <td>600 nm</td> </tr> <tr> <td>Beam Convergence</td> <td>Parallel beam</td> </tr> <tr> <td>Detector</td> <td>Timepix Single Electron Detector</td> </tr> <tr> <td>Number of pixels in the image</td> <td>512 x 512</td> </tr> <tr> <td>Physical pixel size</td> <td>55 µm * 55 µm</td> </tr> <tr> <td>Effective camera length</td> <td>144 mm</td> </tr> <tr> <td>Calibration constant</td> <td>0.006027 Å<sup>-1</sup>/pixel</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Sample description</strong></td> <td> </td> </tr> <tr> <td>Name</td> <td>Natrolite</td> </tr> <tr> <td>Chemical composition</td> <td>Na<sub>2</sub>Al<sub>2</sub>Si<sub>3</sub>O<sub>10</sub>·2H<sub>2</sub>O</td> </tr> <tr> <td>Sample source</td> <td>Natural sample from Marianska Skala, Usti nad Labem, Czechia</td> </tr> <tr> <td>Sample preparation</td> <td>Crushed with a mortar and diluted using isopropanol before depositing a drop on a Cu grid.</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Experimental</strong></td> <td> </td> </tr> <tr> <td>Data type</td> <td>3D Electron Diffraction (3D-ED)</td> </tr> <tr> <td>Data collection method</td> <td>Continuous Rotation Electron Diffraction (CRED)</td> </tr> <tr> <td>Rotation Speed</td> <td>2.00 º/s</td> </tr> <tr> <td>Temperature</td> <td>293 K</td> </tr> <tr> <td>Number of crystals contributing to the dataset</td> <td>1</td> </tr> <tr> <td>Number of experimental frames</td> <td>293</td> </tr> <tr> <td>Tilt range, tilt step</td> <td>-60º to +55, 0.4º</td> </tr> <tr> <td>Exposure time per frame</td> <td>200 ms</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Software</strong></td> <td> </td> </tr> <tr> <td>Software used for data collection</td> <td>WinTEM (Zeiss), Digistar (NanoMEGAS) and Sophy (Software for Physics)</td> </tr> <tr> <td>Software used for processing</td> <td>XDS</td> </tr> <tr> <td>Software used for solution</td> <td>Shelxt</td> </tr> <tr> <td>Software used for refinement</td> <td>Jana</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Authorship and bibliography</strong></td> <td> </td> </tr> <tr> <td>Author(s) of the data</td> <td>Moussa Diame FAYE (ESR1) & Vincentia Emerson Agbemeh (ESR2)</td> </tr> <tr> <td>Related data</td> <td> </td> </tr> <tr> <td>Publication(s)</td> <td> </td> </tr> <tr> <td> </td> <td> </td> </tr> </tbody> </table> <p> </p> <p><strong>Precession:</strong></p> <table> <tbody> <tr> <td><strong>General Information</strong></td> <td> </td> </tr> <tr> <td>Project</td> <td>NanED (www.naned.eu)</td> </tr> <tr> <td>ESR Project</td> <td>ESR1 & ESR2</td> </tr> <tr> <td><strong>Instrumental</strong></td> <td> </td> </tr> <tr> <td>Instrument</td> <td>Zeiss Libra 120</td> </tr> <tr> <td>Radiation source</td> <td>LaB6</td> </tr> <tr> <td>Accelerating voltage</td> <td>120 kV</td> </tr> <tr> <td>Wavelength</td> <td>0.0335 Å</td> </tr> <tr> <td>Probe Type</td> <td>Nanodiffraction</td> </tr> <tr> <td>Beam Diameter</td> <td>150 nm</td> </tr> <tr> <td>Beam Convergence</td> <td>Parallel beam</td> </tr> <tr> <td>Detector</td> <td>Timepix Single Electron Detector</td> </tr> <tr> <td>Number of pixels in the image</td> <td>512 x 512</td> </tr> <tr> <td>Physical pixel size</td> <td>55 µm * 55 µm</td> </tr> <tr> <td>Effective camera length</td> <td>144 mm</td> </tr> <tr> <td>Calibration constant</td> <td>0.006027 Å<sup>-1</sup>/pixel</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Sample description</strong></td> <td> </td> </tr> <tr> <td>Name</td> <td>Natrolite</td> </tr> <tr> <td>Chemical composition</td> <td>Na<sub>2</sub>Al<sub>2</sub>Si<sub>3</sub>O<sub>10</sub>·2H<sub>2</sub>O</td> </tr> <tr> <td>Sample source</td> <td>Natural sample from Marianska Skala, Usti nad Labem, Czechia</td> </tr> <tr> <td>Sample preparation</td> <td>Crushed with a mortar and diluted using isopropanol before depositing a drop on a Cu grid.</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Experimental</strong></td> <td> </td> </tr> <tr> <td>Data type</td> <td>3D Electron Diffraction (3D-ED)</td> </tr> <tr> <td>Data collection method</td> <td>Precession</td> </tr> <tr> <td>Precession Semiangle</td> <td>1º </td> </tr> <tr> <td>Temperature</td> <td>293 K</td> </tr> <tr> <td>Number of crystals contributing to the dataset</td> <td>1</td> </tr> <tr> <td>Number of experimental frames</td> <td>116</td> </tr> <tr> <td>Tilt range, tilt step</td> <td>-59º to +55, 1º</td> </tr> <tr> <td>Exposure time per frame</td> <td>1000 ms</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Software</strong></td> <td> </td> </tr> <tr> <td>Software used for data collection</td> <td>WinTEM (Zeiss), Digistar (NanoMEGAS) and Sophy (Software for Physics)</td> </tr> <tr> <td>Software used for processing</td> <td>PETS2</td> </tr> <tr> <td>Software used for solution</td> <td>SIR2019</td> </tr> <tr> <td>Software used for refinement</td> <td>Jana</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Authorship and bibliography</strong></td> <td> </td> </tr> <tr> <td>Author(s) of the data</td> <td>Moussa Diame FAYE (ESR1) & Vincentia Emerson Agbemeh (ESR2)</td> </tr> <tr> <td>Related data</td> <td> </td> </tr> <tr> <td>Publication(s)</td> <td> </td> </tr> <tr> <td> </td> <td> </td> </tr> </tbody> </table>
Epidote - NanED Round Robin, Data: ESR14 & ESR15
<p><em><strong>Epidote </strong></em></p> <p>The following submission contains the data collection and processing for the sample Epidote under the NanEd round-robin project. Many crystals were identified, and data were collected using the continuous rotation data acquisition technique. All the data sets were processed with Dials software. The table below summarizes the data collection parameters. </p> <table align="right"> <tbody> <tr> <td> <p><strong> General Information</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> Project</p> </td> <td> <p> NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p> ESR Project</p> </td> <td> <p> ESR14 & ESR15 - Round Robin</p> </td> </tr> <tr> <td> <p> Project Label</p> </td> <td> <p> RR1</p> </td> </tr> <tr> <td> <p> Sample Label</p> </td> <td> <p> RR1-S1_PISA</p> </td> </tr> <tr> <td> <p> Data set Label</p> </td> <td> <p> RR1-PISA-CROT</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong> Instrumental</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> Instrument</p> </td> <td> <p> JEOL F200 TEM</p> </td> </tr> <tr> <td> <p> Radiation source</p> </td> <td> <p> Schottky FEG</p> </td> </tr> <tr> <td> <p> Accelerating voltage</p> </td> <td> <p> 200 kV</p> </td> </tr> <tr> <td> <p> Wavelength</p> </td> <td> <p> 0.0251 Å</p> </td> </tr> <tr> <td> <p> Probe Type</p> </td> <td> <p> Nanodiffraction</p> </td> </tr> <tr> <td> <p> Beam Diameter</p> </td> <td> <p> CLA4</p> </td> </tr> <tr> <td> <p> Beam Convergence</p> </td> <td> <p> Parallel beam</p> </td> </tr> <tr> <td> <p> Detector</p> </td> <td> <p> ASI Cheetah M3 retractable hybrid pixel detecor</p> </td> </tr> <tr> <td> <p> Number of pixels in the image</p> </td> <td> <p> 515x515 </p> </td> </tr> <tr> <td> <p> Pixel size</p> </td> <td> <p> 55µm x 55µm</p> </td> </tr> <tr> <td> <p> Camera Length / Effective Camera Length</p> </td> <td> <p> 441- 460 mm </p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong> Sample description:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> Name</p> </td> <td> <p> Epidote</p> </td> </tr> <tr> <td> <p> Chemical composition</p> </td> <td> <p> Ca<sub>2</sub>Fe<sub>x</sub>Al<sub>3-x</sub>Si<sub>3</sub>O<sub>13</sub>H</p> </td> </tr> <tr> <td> <p> Sample source</p> </td> <td> <p> Natural source from Val d'Ossola, Italy</p> </td> </tr> <tr> <td> <p> Sample preparation</p> </td> <td> <p> The crystals were grinded between two glass slides and part of the resulting powder was loaded on top of a carbon-coated copper grid.</p> </td> </tr> <tr> <td> <p> <strong>Experimental:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> Data Type</p> </td> <td> <p> Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p> Data collection method</p> </td> <td> <p> Continuous Rotation</p> </td> </tr> <tr> <td> <p> Temperature (K) used during data collection</p> </td> <td> <p> 293 K</p> </td> </tr> <tr> <td> <p> Number of crystals contributing to the data set</p> </td> <td> <p> Multiple</p> </td> </tr> <tr> <td> <p> Number of experimental frames</p> </td> <td> <p> 450</p> </td> </tr> <tr> <td> <p> Tilt range, tilt step, tilt per frame</p> </td> <td> <p> -30° to +30°, 0.13°, 0.13°</p> </td> </tr> <tr> <td> <p> Exposure time per frame</p> </td> <td> <p> 100 ms</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong> Software:</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> Software used for the data collection</p> </td> <td> <p> CEOS CEFID energy filter controlling program</p> </td> </tr> <tr> <td> <p> Software used for processing</p> </td> <td> <p> DIALS</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong> Authorship and bibliography</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> Author(s) of the data</p> </td> <td> <p> Senik Matinyan (ESR14) & Amatassalam Ben Meriem (ESR15)</p> </td> </tr> <tr> <td> <p> Related data</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> Publication(s)</p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong> Files and data formats</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> Image folder</p> </td> <td> <p> Set3_6: Folders containing images of the diffraction pattern from each frame.</p> </td> </tr> <tr> <td> <p> Image format</p> </td> <td> <p> .img</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> </tbody> </table>
Quantitative data and plotting code for Nanes et al. 2024
Open the record for dataset details and reuse information.
Natrolite - NanED Round Robin, Data: ESR14 & ESR15
<p><strong><em>Natrolite</em></strong></p> <p>The following submission contains the data collection and processing for the sample Natrolite under the NanEd round-robin project. Many crystals were identified, and data were collected using the continuous rotation data acquisition technique. All the data sets were processed with Dials software. The table below summarizes the data collection parameters.</p> <p> </p> <table> <tbody> <tr> <td> <p><strong> General Information</strong></p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p> Project</p> </td> <td> <p> NanED (www.naned.eu)</p> </td> </tr> <tr> <td> <p> ESR Project</p> </td> <td> <p> ESR14 & ESR15 - Round Robin</p> </td> </tr> <tr> <td> <p> Project Label</p> </td> <td> <p> RR2</p> </td> </tr> <tr> <td> <p> Sample Label</p> </td> <td> <p> RR2-S2-PRAHA</p> </td> </tr> <tr> <td> <p> Data set Label</p> </td> <td> <p> RR2-S2_ PRAHA_CROT</p> </td> </tr> <tr> <td> <p> </p> </td> <td> </td> </tr> <tr> <td> <p><strong> Instrumental</strong></p> </td> <td> </td> </tr> <tr> <td> <p> Instrument</p> </td> <td> <p> JEOL F200 TEM</p> </td> </tr> <tr> <td> <p> Radiation source</p> </td> <td> <p> Schottky FEG</p> </td> </tr> <tr> <td> <p> Accelerating voltage</p> </td> <td> <p> 200 kV</p> </td> </tr> <tr> <td> <p> Wavelength</p> </td> <td> <p> 0.0251 Å</p> </td> </tr> <tr> <td> <p> Probe Type</p> </td> <td> <p> Nanodiffraction</p> </td> </tr> <tr> <td> <p> Beam Diameter</p> </td> <td> <p> CLA4</p> </td> </tr> <tr> <td> <p> Beam Convergence</p> </td> <td> <p> Parallel beam</p> </td> </tr> <tr> <td> <p> Detector</p> </td> <td> <p> ASI Cheetah M3 retractable hybrid pixel detecor</p> </td> </tr> <tr> <td> <p> Number of pixels in the Image</p> </td> <td> <p> 515x515</p> </td> </tr> <tr> <td> <p> Pixel size</p> </td> <td> <p> 55µm x 55µm</p> </td> </tr> <tr> <td> <p> Camera Length / Effective Camera Length</p> </td> <td> <p> 440-460 mm</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong> Sample description:</strong></p> </td> <td> </td> </tr> <tr> <td> <p> Name</p> </td> <td> <p> Natrolite</p> </td> </tr> <tr> <td> <p> Chemical composition</p> </td> <td> <p> Na<sub>2</sub>Al<sub>2</sub>Si<sub>3</sub>O<sub>10</sub>·2H<sub>2</sub>O</p> </td> </tr> <tr> <td> <p> Sample source</p> </td> <td> <p> Natural sample from Marianska Skala, Usti nad Labem, Czechia</p> </td> </tr> <tr> <td> <p> Sample preparation</p> </td> <td> <p> The crystals were grinded between two glass slides and part of the resulting powder was loaded on top of a carbon-coated copper grid.</p> </td> </tr> <tr> <td> <p> <strong>Experimental:</strong></p> </td> <td> </td> </tr> <tr> <td> <p> Data Type</p> </td> <td> <p> Electron diffraction data - 3D ED</p> </td> </tr> <tr> <td> <p> Data collection method</p> </td> <td> <p> Continuous Rotation</p> </td> </tr> <tr> <td> <p> Temperature (K) used during data collection</p> </td> <td> <p> 293 K</p> </td> </tr> <tr> <td> <p> Number of crystals contributing to the data set</p> </td> <td> <p> Multiple</p> </td> </tr> <tr> <td> <p> Number of experimental frames</p> </td> <td> <p> 450</p> </td> </tr> <tr> <td> <p> Tilt range, tilt step, tilt per frame</p> </td> <td> <p> -30° to +30°, 0.13°, 0.13°</p> </td> </tr> <tr> <td> <p> Exposure time per frame</p> </td> <td> <p> 100 ms</p> </td> </tr> <tr> <td> <p> </p> </td> <td> </td> </tr> <tr> <td> <p><strong> Software:</strong></p> </td> <td> </td> </tr> <tr> <td> <p> Software used for the data collection</p> </td> <td> <p> CEOS CEFID energy filter controlling program</p> </td> </tr> <tr> <td> <p> Software used for processing</p> </td> <td> <p> DIALS</p> </td> </tr> <tr> <td> <p> </p> </td> <td> <p> </p> </td> </tr> <tr> <td> <p><strong> Authorship and bibliography</strong></p> </td> <td> </td> </tr> <tr> <td> <p> Author(s) of the data</p> </td> <td> <p> Senik Matinyan (ESR14) & Amatassalam Ben Meriem (ESR15)</p> </td> </tr> <tr> <td> <p> Related data</p> </td> <td> </td> </tr> <tr> <td> <p> Publication(s)</p> </td> <td> </td> </tr> <tr> <td> <p> </p> </td> <td> </td> </tr> <tr> <td> <p><strong> Files and data formats</strong></p> </td> <td> </td> </tr> <tr> <td> <p> Image folder</p> </td> <td> <p> Set1_to_3: Folder containing images of the diffraction pattern from each frame.</p> <p><em> Note : Set1: reverse: 30° to -30° data collection</em></p> </td> </tr> <tr> <td> <p> Image format</p> </td> <td> <p> .img</p> </td> </tr> <tr> <td> </td> <td> </td> </tr> </tbody> </table>
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