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Laueprocess: a software package for processing Laue diffraction data
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DOI：10.1107/S1600576725005023.png)
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Abstract
En 中文
With the development of fourth-generation synchrotron radiation sources, generating monochromatic beams from white beams for conventional rotation-based diffraction experiments at 100 K would involve discarding significantly more photons to avoid radiation damage to protein crystals than was necessary for third-generation synchrotron radiation sources. This makes single-pulse Laue diffraction investigations more attractive. However, evaluating polychromatic diffraction data is more complicated than using monochromatic diffraction data. To address this problem, a software package, Laueprocess, was developed to process Laue diffraction data at the Shanghai Synchrotron Radiation Facility. It is a graphical user interface program, based on the MATLAB programming language. Laueprocess has been applied to process Laue diffraction data from the fields of protein crystallography, small-molecule crystallography and materials science. It reduces the complexity of data processing and can be used to automatically process data from materials science. Laueprocess has been applied at the BL03HB beamline to process Laue diffraction datasets in manual and automated pipelines.
Keywords:
computer software
data processing
crystal orientation
Laue diffraction
indexing
integration
scaling
Journal
IF:
2.8
Papers:
274
Citations:
3.1W