Crystal Diffraction Prediction and Partiality estimation using Gaussian basis functions
收藏DataCite Commons2023-03-01 更新2025-04-09 收录
下载链接：
https://www.osti.gov/servlets/purl/1958707/
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资源简介：
A small dataset with good data quality, useful as a benchmark. There exists a two-fold indexing ambiguity, so when processing with CrystFEL you will need to do: ambigator -o disambiguated.stream -y m-3 -w m-3m -j 72 ambiguous.stream Please check the README file for more information about the dataset. ----- Begin unit cell ----- CrystFEL unit cell file version 1.0 lattice_type = cubic centering = I a = 103.40 A b = 103.40 A c = 103.40 A al = 90.00 deg be = 90.00 deg ga = 90.00 deg ; Please note: this is the target unit cell. ; The actual unit cells produced by indexing depend on many other factors. ----- End unit cell -----
提供机构：
Coherent X-ray Imaging Data Bank (Lawrence Berkeley National Laboratory); CFEL, Hamburg University
创建时间：
2023-03-01
