期刊
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
卷 76, 期 -, 页码 369-375出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2053273320001916
关键词
serial crystallography; two-color diffraction; indexing algorithm
资金
- National Natural Science Foundation of China [11575021, U1930402, U1430237]
- US National Science Foundation [1565180]
- Div Of Biological Infrastructure
- Direct For Biological Sciences [1565180] Funding Source: National Science Foundation
Recent developments of two-color operation modes at X-ray free-electron laser facilities provide new research opportunities, such as X-ray pump/X-ray probe experiments and multiple-wavelength anomalous dispersion phasing methods. However, most existing indexing methods were developed for indexing diffraction data from monochromatic X-ray beams. Here, a new algorithm is presented for indexing two-color diffraction data, as an extension of the sparse-pattern indexing algorithm SPIND, which has been demonstrated to be capable of indexing diffraction patterns with as few as five peaks. The principle and implementation of the two-color indexing method, SPIND-TC, are reported in this paper. The algorithm was tested on both simulated and experimental data of protein crystals. The results show that the diffraction data can be accurately indexed in both cases. Source codes are publicly available at https://github.com/lixx11/SPIND-TC.
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