遇见数据集

68 image lysozyme dataset recorded on the Jungfrau 16M detector at SwissFEL and formatted as a NeXus file

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Zenodo2020-07-29 更新2026-05-25 收录
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资源简介:

Data provided by Meitian Wang at PSI. To create a new NeXus master file, assuming DIALS is installed in the folder $DIALS, use this command: libtbx.python $DIALS/modules/cctbx_project/xfel/swissfel/jf16m_cxigeom2nexus.py unassembled_file=lyso009a_0087.JF07T32V01.h5 geom_file=16M_bernina_backview_optimized_adu_quads.geom wavelength=1.368479 detector_distance=97.830 mask_file=lyso009a_0087.JF07T32V01.mask.h5 Geometry file is in CrystFEL format but has been realigned to group the modules hierarchically into quadrants. View the data using DIALS: dials.image_viewer lyso009a_0087.JF07T32V01_master.h5 Process the data using DIALS, treating the images as stills, assuming 64 cores available on the system:<br> dials.stills_process mp.nproc=64 lyso009a_0087.JF07T32V01_master.h5 dispersion.gain=10 known_symmetry.space_group=P43212 known_symmetry.unit_cell=77,77,37,90,90,90 refinement_protocol.d_min_start=2.5 Download DIALS at dials.github.io.

提供机构:
Zenodo
创建时间:
2019-07-26
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